azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine

C124H257N13O15S13 — CID 160905652

IUPACazepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine
SMILESC1=CCOCC1.C1=COCCC1.C1CCCNCC1.C1CCCOCC1.C1CCCSCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CCSC1.C1CCSCC1.C1CN1.C1CNC1.C1CNCCN1.C1CNCCNC1.C1CNCCOC1.C1CNCCSC1.C1CO1.C1COC1.C1COCCN1.C1COCCO1.C1COCCOC1.C1COCCSC1.C1CS1.C1CSC1.C1CSCCN1.C1CSCCO1.C1CSCCS1.C1CSCCSC1
InChIInChI=1S/C6H13N.C6H12O.C6H12S.C5H12N2.C5H11NO.C5H11NS.C5H11N.C5H10O2.C5H10OS.C5H10O.2C5H8O.C5H10S2.C5H10S.C4H10N2.C4H9NO.C4H9NS.C4H9N.C4H8O2.C4H8OS.C4H8O.C4H8S2.C4H8S.C3H7N.C3H6O.C3H6S.C2H5N.C2H4O.C2H4S/c3*1-2-4-6-7-5-3-1;1-2-6-4-5-7-3-1;2*1-2-6-3-5-7-4-1;1-2-4-6-5-3-1;1-2-6-4-5-7-3-1;1-2-6-3-5-7-4-1;3*1-2-4-6-5-3-1;1-2-6-4-5-7-3-1;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-3-6-4-2-5-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1;3*1-2-4-3-1;3*1-2-3-1/h7H,1-6H2;2*1-6H2;6-7H,1-5H2;2*6H,1-5H2;6H,1-5H2;2*1-5H2;1-5H2;2,4H,1,3,5H2;1-2H,3-5H2;1-5H2;1-5H2;5-6H,1-4H2;2*5H,1-4H2;5H,1-4H2;2*1-4H2;1-4H2;1-4H2;1-4H2;4H,1-3H2;2*1-3H2;3H,1-2H2;2*1-2H2
InChIKeySQCIURVEDLQAGE-UHFFFAOYSA-N
MW2587.37 g/mol
LogP20.73
Rot. Bonds

About azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine

azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine (PubChem CID 160905652) has the molecular formula C124H257N13O15S13 and a molecular weight of 2587.37 g/mol. Its IUPAC name is azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine.

Molecular Properties

Compound Nameazepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine
PubChem CID160905652
Molecular FormulaC124H257N13O15S13
Molecular Weight2587.37 g/mol
Exact Mass2584.61
IUPAC Nameazepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine
SMILESC1=CCOCC1.C1=COCCC1.C1CCCNCC1.C1CCCOCC1.C1CCCSCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CCSC1.C1CCSCC1.C1CN1.C1CNC1.C1CNCCN1.C1CNCCNC1.C1CNCCOC1.C1CNCCSC1.C1CO1.C1COC1.C1COCCN1.C1COCCO1.C1COCCOC1.C1COCCSC1.C1CS1.C1CSC1.C1CSCCN1.C1CSCCO1.C1CSCCS1.C1CSCCSC1
InChIInChI=1S/C6H13N.C6H12O.C6H12S.C5H12N2.C5H11NO.C5H11NS.C5H11N.C5H10O2.C5H10OS.C5H10O.2C5H8O.C5H10S2.C5H10S.C4H10N2.C4H9NO.C4H9NS.C4H9N.C4H8O2.C4H8OS.C4H8O.C4H8S2.C4H8S.C3H7N.C3H6O.C3H6S.C2H5N.C2H4O.C2H4S/c3*1-2-4-6-7-5-3-1;1-2-6-4-5-7-3-1;2*1-2-6-3-5-7-4-1;1-2-4-6-5-3-1;1-2-6-4-5-7-3-1;1-2-6-3-5-7-4-1;3*1-2-4-6-5-3-1;1-2-6-4-5-7-3-1;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-3-6-4-2-5-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1;3*1-2-4-3-1;3*1-2-3-1/h7H,1-6H2;2*1-6H2;6-7H,1-5H2;2*6H,1-5H2;6H,1-5H2;2*1-5H2;1-5H2;2,4H,1,3,5H2;1-2H,3-5H2;1-5H2;1-5H2;5-6H,1-4H2;2*5H,1-4H2;5H,1-4H2;2*1-4H2;1-4H2;1-4H2;1-4H2;4H,1-3H2;2*1-3H2;3H,1-2H2;2*1-2H2
InChIKeySQCIURVEDLQAGE-UHFFFAOYSA-N
XLogP20.73
TPSA308.05 Ų
H-Bond Donors13
H-Bond Acceptors41
Rotatable Bonds
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002587.37
LogP ≤ 520.73
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine with MolForge

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Related Compounds

azepane;azetidine;aziridine;1,4-diazepane;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;1-methylpiperidin-4-ol;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine
CID 158070579
azepane;cyclobutane;cycloheptane;cycloheptene;bis(cyclohexane);cyclohexene;cyclooctane;bis(cyclopentane);cyclopentene;bis(3,4-dihydro-2H-pyrrole);1,4-dioxane;1,3-dioxolane;1,4-dithiane;morpholine;1,3-oxazolidine;oxepane;bis(pyrrolidine);2,3,6,7-tetrahydro-1H-azepine;thiepane;thiomorpholine
CID 158157348
azepane;azetidine;cycloheptane;cyclohexane;cyclopentane;cyclopropane;1,4-dioxane;1,4-dioxepane;1,4-dithiane;oxane;1,4-oxathiane;bis(1,4-oxathiepane);1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperidine;3-propylazocane;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane
CID 157399336
cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane
CID 159317335
cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane
CID 159787478
oxepane;piperazine;thiomorpholine
CID 160642361
azepane;1,3-oxazinane;1,3-oxazolidine;piperidine;pyrrolidine;1,3-thiazinane;1,3-thiazolidine
CID 159808302
cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine
CID 162002858
1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxacyclopentadecane;1,4,7,10,13-pentaoxa-16-thiacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane;1,4,7,13-tetraoxa-10,16-dithiacyclooctadecane;1,4,7,10-tetraoxa-13-thiacyclopentadecane;1,4,7-trioxa-10,13-dithiacyclopentadecane;1,4,10-trioxa-7,13-dithiacyclopentadecane;1,4,7-trioxonane
CID 158126715
azepane;cycloheptane;cycloheptene;1,4-diazepane;pentadecakis(2,2-dimethylpropane);1,3-dioxan-2-one;ethane;1,3-oxazinan-2-one;oxepane;piperidine-2,6-dione;propane;2,3,6,7-tetrahydrooxepine;thiepane
CID 161172102
1-oxa-4,13-dithia-7,10-diazacyclopentadecane
CID 15321739
imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine
CID 162108136

Frequently Asked Questions

What is the IUPAC name of azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine?
The IUPAC name of azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine (CID 160905652) is azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine.
What is the SMILES notation for azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine?
The canonical SMILES for azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine is C1=CCOCC1.C1=COCCC1.C1CCCNCC1.C1CCCOCC1.C1CCCSCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CCSC1.C1CCSCC1.C1CN1.C1CNC1.C1CNCCN1.C1CNCCNC1.C1CNCCOC1.C1CNCCSC1.C1CO1.C1COC1.C1COCCN1.C1COCCO1.C1COCCOC1.C1COCCSC1.C1CS1.C1CSC1.C1CSCCN1.C1CSCCO1.C1CSCCS1.C1CSCCSC1.
What is the InChIKey of azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine?
The InChIKey is SQCIURVEDLQAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H12O.C6H12S.C5H12N2.C5H11NO.C5H11NS.C5H11N.C5H10O2.C5H10OS.C5H10O.2C5H8O.C5H10S2.C5H10S.C4H10N2.C4H9NO.C4H9NS.C4H9N.C4H8O2.C4H8OS.C4H8O.C4H8S2.C4H8S.C3H7N.C3H6O.C3H6S.C2H5N.C2H4O.C2H4S/c3*1-2-4-6-7-5-3-1;1-2-6-4-5-7-3-1;2*1-2-6-3-5-7-4-1;1-2-4-6-5-3-1;1-2-6-4-5-7-3-1;1-2-6-3-5-7-4-1;3*1-2-4-6-5-3-1;1-2-6-4-5-7-3-1;1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-3-6-4-2-5-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1;3*1-2-4-3-1;3*1-2-3-1/h7H,1-6H2;2*1-6H2;6-7H,1-5H2;2*6H,1-5H2;6H,1-5H2;2*1-5H2;1-5H2;2,4H,1,3,5H2;1-2H,3-5H2;1-5H2;1-5H2;5-6H,1-4H2;2*5H,1-4H2;5H,1-4H2;2*1-4H2;1-4H2;1-4H2;1-4H2;4H,1-3H2;2*1-3H2;3H,1-2H2;2*1-2H2.
What are the key properties of azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine?
azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine has a molecular weight of 2587.37 g/mol, XLogP of 20.73, 0 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine is sourced from PubChem (CID 160905652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).