2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one

C12H21NOS — CID 42895302

IUPAC2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(SC1CCCC1)C(=O)N1CCCC1
InChIInChI=1S/C12H21NOS/c1-10(15-11-6-2-3-7-11)12(14)13-8-4-5-9-13/h10-11H,2-9H2,1H3
InChIKeyULVRSUHQZKSPIS-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.67
Rot. Bonds3

About 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one

2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 42895302) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID42895302
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(SC1CCCC1)C(=O)N1CCCC1
InChIInChI=1S/C12H21NOS/c1-10(15-11-6-2-3-7-11)12(14)13-8-4-5-9-13/h10-11H,2-9H2,1H3
InChIKeyULVRSUHQZKSPIS-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Oxo-3-pyrrolidinylpropylthio)-1-pyrrolidinylpropan-1-one
CID 2167108
3-(Methylsulfanyl)-1-(pyrrolidin-1-yl)propan-1-one
CID 60635073
Pyrrolidin-1-yl-(tetrahydro-thiophen-2-yl)-methanone
CID 44364227
4-(Methylsulfanyl)-1-(pyrrolidin-1-yl)butan-1-one
CID 84324723
1-(2,5-Dimethylpyrrolidin-1-yl)-3-(methylsulfanyl)propan-1-one
CID 145867154
2-Cyclohexylsulfanyl-1-pyrrolidin-1-ylethanone
CID 2402560
2-Cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone
CID 2402562
1-[2-(Ethylthio)ethyl]-2-pyrrolidinone
CID 20458704
1-[2-[[2-(Ethylthio)ethyl]thio]ethyl]-2-pyrrolidinone
CID 129809762
(Dimethylsulfonioacetyl)pyrrolidine bromide
CID 129801036
1-[2-(Propylthio)propyl]-2-pyrrolidinone
CID 129806510
1-[2-(Ethylthio)propyl]-2-pyrrolidinone
CID 129807352

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one (CID 42895302) is 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one is CC(SC1CCCC1)C(=O)N1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ULVRSUHQZKSPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(15-11-6-2-3-7-11)12(14)13-8-4-5-9-13/h10-11H,2-9H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one?
2-cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 227.37 g/mol, XLogP of 2.67, 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-ylpropan-1-one is sourced from PubChem (CID 42895302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).