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

C120H254N14O14S13 — CID 158070579

About 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

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 (PubChem CID 158070579) has the molecular formula C120H254N14O14S13 and a molecular weight of 2534.31 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158070579
• Molecular Formula: C120H254N14O14S13
• Molecular Weight: 2534.31 g/mol
• Exact Mass: 2531.60
• IUPAC Name: 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
• SMILES: 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.CN1CCC(O)CC1
• InChI: InChI=1S/C6H13NO.C6H13N.C6H12O.C6H12S.C5H12N2.C5H11NO.C5H11NS.C5H11N.C5H10O2.C5H10OS.C5H10O.C5H10S2.C5H10S.C4H10N2.C4H9NO.C4H9NS.C4H9N.C4H8O2.C4H8OS.C4H8O.C4H8S2.C4H8S.C3H7N.C3H6O.C3H6S.C2H5N.C2H4O.C2H4S/c1-7-4-2-6(8)3-5-7;3*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;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/h6,8H,2-5H2,1H3;7H,1-6H2;2*1-6H2;6-7H,1-5H2;2*6H,1-5H2;6H,1-5H2;2*1-5H2;1-5H2;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
• InChIKey: FLTSBNQSIYXTIM-UHFFFAOYSA-N
• XLogP: 18.53
• TPSA: 313.06 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 41
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2534.31
LogP ≤ 5	18.53
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is 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.CN1CCC(O)CC1.

What is the InChIKey of 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?

The InChIKey is FLTSBNQSIYXTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C6H13N.C6H12O.C6H12S.C5H12N2.C5H11NO.C5H11NS.C5H11N.C5H10O2.C5H10OS.C5H10O.C5H10S2.C5H10S.C4H10N2.C4H9NO.C4H9NS.C4H9N.C4H8O2.C4H8OS.C4H8O.C4H8S2.C4H8S.C3H7N.C3H6O.C3H6S.C2H5N.C2H4O.C2H4S/c1-7-4-2-6(8)3-5-7;3*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;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/h6,8H,2-5H2,1H3;7H,1-6H2;2*1-6H2;6-7H,1-5H2;2*6H,1-5H2;6H,1-5H2;2*1-5H2;1-5H2;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;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?

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 has a molecular weight of 2534.31 g/mol, XLogP of 18.53, 0 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158070579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).