2-(cyclopentylsulfanylmethyl)azetidine

C9H17NS — CID 115070899

IUPAC2-(cyclopentylsulfanylmethyl)azetidine
SMILESC1CCC(SCC2CCN2)C1
InChIInChI=1S/C9H17NS/c1-2-4-9(3-1)11-7-8-5-6-10-8/h8-10H,1-7H2
InChIKeyALPVHEVRPDFPSR-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.02
Rot. Bonds3

About 2-(cyclopentylsulfanylmethyl)azetidine

2-(cyclopentylsulfanylmethyl)azetidine (PubChem CID 115070899) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)azetidine.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)azetidine
PubChem CID115070899
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-(cyclopentylsulfanylmethyl)azetidine
SMILESC1CCC(SCC2CCN2)C1
InChIInChI=1S/C9H17NS/c1-2-4-9(3-1)11-7-8-5-6-10-8/h8-10H,1-7H2
InChIKeyALPVHEVRPDFPSR-UHFFFAOYSA-N
XLogP2.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylsulfanylmethyl)azetidine
CID 115070954
3-(cyclopentylmethylsulfanyl)azetidine
CID 63120225
ethylsulfanylcycloheptane
CID 67666697
cyclohexylsulfanylmethanamine
CID 18729999
4-(2-cyclopentylsulfanylethyl)piperidine
CID 105061347
3-(cyclopropylsulfanylmethyl)pyrrolidine
CID 84650659
(2S)-2-(propylsulfanylmethyl)pyrrolidine
CID 102820309
3-(cyclohexylsulfanylmethyl)oxolane
CID 127013309
2-[(4-methylphenyl)methylsulfanylmethyl]azetidine
CID 115070984
ethylsulfanylcyclohexane;hydrate
CID 154657680
2-cyclopentylsulfanylethanamine
CID 23401603
propylsulfanylcyclopentane
CID 534899

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)azetidine?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)azetidine (CID 115070899) is 2-(cyclopentylsulfanylmethyl)azetidine.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)azetidine?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)azetidine is C1CCC(SCC2CCN2)C1.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)azetidine?
The InChIKey is ALPVHEVRPDFPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-4-9(3-1)11-7-8-5-6-10-8/h8-10H,1-7H2.
What are the key properties of 2-(cyclopentylsulfanylmethyl)azetidine?
2-(cyclopentylsulfanylmethyl)azetidine has a molecular weight of 171.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)azetidine is sourced from PubChem (CID 115070899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).