imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine

C35H79N9O4S — CID 162108136

IUPACimidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine
SMILESC1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNCCN1.C1CNCN1.C1COCCN1.C1COCN1.C1CSCN1
InChIInChI=1S/C5H11N.C5H10O.C4H10N2.C4H9NO.C4H9N.C4H8O.C3H8N2.C3H7NO.C3H7NS/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;3*1-2-5-3-4-1/h6H,1-5H2;1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;1-4H2;4-5H,1-3H2;2*4H,1-3H2
InChIKeyZFTYKHCZYKLOKO-UHFFFAOYSA-N
MW722.14 g/mol
LogP0.88
Rot. Bonds

About imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine

imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine (PubChem CID 162108136) has the molecular formula C35H79N9O4S and a molecular weight of 722.14 g/mol. Its IUPAC name is imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine.

Molecular Properties

Compound Nameimidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine
PubChem CID162108136
Molecular FormulaC35H79N9O4S
Molecular Weight722.14 g/mol
Exact Mass721.60
IUPAC Nameimidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine
SMILESC1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNCCN1.C1CNCN1.C1COCCN1.C1COCN1.C1CSCN1
InChIInChI=1S/C5H11N.C5H10O.C4H10N2.C4H9NO.C4H9N.C4H8O.C3H8N2.C3H7NO.C3H7NS/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;3*1-2-5-3-4-1/h6H,1-5H2;1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;1-4H2;4-5H,1-3H2;2*4H,1-3H2
InChIKeyZFTYKHCZYKLOKO-UHFFFAOYSA-N
XLogP0.88
TPSA145.19 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500722.14
LogP ≤ 50.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine with MolForge

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Related Compounds

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
oxepane;piperazine;thiomorpholine
CID 160642361
1-oxa-3,12-diazacycloheptadecane
CID 174945587
1-oxa-4,16-diazacyclohenicosane
CID 66747485
morpholine;oxane;piperidine
CID 143301989
cyclohexane;cyclopentane;oxane;oxolane;tris(piperidine);bis(pyrrolidine);thiane;thiolane
CID 159787478
azepane;azocane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;oxepane;oxocane
CID 157321050
cyclopentane;oxolane;pyrrolidine
CID 161204353
1-oxa-4,7,10-triazacyclotridecane
CID 22755933
cyclohexane;cyclopentane;cyclopropane;oxane;oxetane;oxolane;pyrrolidine
CID 161075401
oxane;piperazine
CID 20521858

Frequently Asked Questions

What is the IUPAC name of imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine?
The IUPAC name of imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine (CID 162108136) is imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine.
What is the SMILES notation for imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine?
The canonical SMILES for imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine is C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CNCCN1.C1CNCN1.C1COCCN1.C1COCN1.C1CSCN1.
What is the InChIKey of imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine?
The InChIKey is ZFTYKHCZYKLOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H10O.C4H10N2.C4H9NO.C4H9N.C4H8O.C3H8N2.C3H7NO.C3H7NS/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;3*1-2-5-3-4-1/h6H,1-5H2;1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;1-4H2;4-5H,1-3H2;2*4H,1-3H2.
What are the key properties of imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine?
imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine has a molecular weight of 722.14 g/mol, XLogP of 0.88, 0 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine is sourced from PubChem (CID 162108136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).