3-(cyclopentylmethylsulfanyl)azetidine

C9H17NS — CID 63120225

IUPAC3-(cyclopentylmethylsulfanyl)azetidine
SMILESC1CCC(CSC2CNC2)C1
InChIInChI=1S/C9H17NS/c1-2-4-8(3-1)7-11-9-5-10-6-9/h8-10H,1-7H2
InChIKeyQJKCHCCEPFBNOC-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.88
Rot. Bonds3

About 3-(cyclopentylmethylsulfanyl)azetidine

3-(cyclopentylmethylsulfanyl)azetidine (PubChem CID 63120225) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfanyl)azetidine.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfanyl)azetidine
PubChem CID63120225
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name3-(cyclopentylmethylsulfanyl)azetidine
SMILESC1CCC(CSC2CNC2)C1
InChIInChI=1S/C9H17NS/c1-2-4-8(3-1)7-11-9-5-10-6-9/h8-10H,1-7H2
InChIKeyQJKCHCCEPFBNOC-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfanyl)azetidine?
The IUPAC name of 3-(cyclopentylmethylsulfanyl)azetidine (CID 63120225) is 3-(cyclopentylmethylsulfanyl)azetidine.
What is the SMILES notation for 3-(cyclopentylmethylsulfanyl)azetidine?
The canonical SMILES for 3-(cyclopentylmethylsulfanyl)azetidine is C1CCC(CSC2CNC2)C1.
What is the InChIKey of 3-(cyclopentylmethylsulfanyl)azetidine?
The InChIKey is QJKCHCCEPFBNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-4-8(3-1)7-11-9-5-10-6-9/h8-10H,1-7H2.
What are the key properties of 3-(cyclopentylmethylsulfanyl)azetidine?
3-(cyclopentylmethylsulfanyl)azetidine has a molecular weight of 171.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfanyl)azetidine is sourced from PubChem (CID 63120225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).