2-cyclohexylsulfanyl-N-cyclopentylacetamide

C13H23NOS — CID 2374980

IUPAC2-cyclohexylsulfanyl-N-cyclopentylacetamide
SMILESO=C(CSC1CCCCC1)NC1CCCC1
InChIInChI=1S/C13H23NOS/c15-13(14-11-6-4-5-7-11)10-16-12-8-2-1-3-9-12/h11-12H,1-10H2,(H,14,15)
InChIKeyPJKHYDPAIVPXFG-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.11
Rot. Bonds4

About 2-cyclohexylsulfanyl-N-cyclopentylacetamide

2-cyclohexylsulfanyl-N-cyclopentylacetamide (PubChem CID 2374980) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-cyclopentylacetamide
PubChem CID2374980
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2-cyclohexylsulfanyl-N-cyclopentylacetamide
SMILESO=C(CSC1CCCCC1)NC1CCCC1
InChIInChI=1S/C13H23NOS/c15-13(14-11-6-4-5-7-11)10-16-12-8-2-1-3-9-12/h11-12H,1-10H2,(H,14,15)
InChIKeyPJKHYDPAIVPXFG-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-cyclohexylsulfanyl-N-cyclopentylacetamide (CID 2374980) is 2-cyclohexylsulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-cyclohexylsulfanyl-N-cyclopentylacetamide is O=C(CSC1CCCCC1)NC1CCCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-cyclopentylacetamide?
The InChIKey is PJKHYDPAIVPXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c15-13(14-11-6-4-5-7-11)10-16-12-8-2-1-3-9-12/h11-12H,1-10H2,(H,14,15).
What are the key properties of 2-cyclohexylsulfanyl-N-cyclopentylacetamide?
2-cyclohexylsulfanyl-N-cyclopentylacetamide has a molecular weight of 241.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 2374980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).