2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide

C12H20N2O2S — CID 71789138

IUPAC2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
SMILESCN1CC(NC(=O)CSC2CCCC2)CC1=O
InChIInChI=1S/C12H20N2O2S/c1-14-7-9(6-12(14)16)13-11(15)8-17-10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyPPCQIPGRXKBOAN-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.01
Rot. Bonds4

About 2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide

2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide (PubChem CID 71789138) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
PubChem CID71789138
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
SMILESCN1CC(NC(=O)CSC2CCCC2)CC1=O
InChIInChI=1S/C12H20N2O2S/c1-14-7-9(6-12(14)16)13-11(15)8-17-10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyPPCQIPGRXKBOAN-UHFFFAOYSA-N
XLogP1.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide (CID 71789138) is 2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide is CN1CC(NC(=O)CSC2CCCC2)CC1=O.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide?
The InChIKey is PPCQIPGRXKBOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-14-7-9(6-12(14)16)13-11(15)8-17-10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,13,15).
What are the key properties of 2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide?
2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide has a molecular weight of 256.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 71789138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).