2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone

C11H19NOS — CID 2402562

IUPAC2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSC1CCCC1)N1CCCC1
InChIInChI=1S/C11H19NOS/c13-11(12-7-3-4-8-12)9-14-10-5-1-2-6-10/h10H,1-9H2
InChIKeySRCUEVADXHRLTI-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.28
Rot. Bonds3

About 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone

2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 2402562) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID2402562
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSC1CCCC1)N1CCCC1
InChIInChI=1S/C11H19NOS/c13-11(12-7-3-4-8-12)9-14-10-5-1-2-6-10/h10H,1-9H2
InChIKeySRCUEVADXHRLTI-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone (CID 2402562) is 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone is O=C(CSC1CCCC1)N1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is SRCUEVADXHRLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c13-11(12-7-3-4-8-12)9-14-10-5-1-2-6-10/h10H,1-9H2.
What are the key properties of 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone?
2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 213.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 2402562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).