1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one

C7H13NOS — CID 14417021

IUPAC1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one
SMILESCSC1C(=O)N(C)CC1C
InChIInChI=1S/C7H13NOS/c1-5-4-8(2)7(9)6(5)10-3/h5-6H,4H2,1-3H3
InChIKeyKUJWSHDUINFSQE-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.83
Rot. Bonds1

About 1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one

1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one (PubChem CID 14417021) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one
PubChem CID14417021
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one
SMILESCSC1C(=O)N(C)CC1C
InChIInChI=1S/C7H13NOS/c1-5-4-8(2)7(9)6(5)10-3/h5-6H,4H2,1-3H3
InChIKeyKUJWSHDUINFSQE-UHFFFAOYSA-N
XLogP0.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Methylsulfanyl)-1-(pyrrolidin-1-yl)propan-1-one
CID 60635073
3-(2-Oxopyrrolidin-1-yl)propyl thiocyanate
CID 44384959
1-Methyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 15305425
N,N-dimethyl-5-oxothiolane-3-carboxamide
CID 15029729
4-(Methylsulfanyl)-1-(pyrrolidin-1-yl)butan-1-one
CID 84324723
1-[2-(Ethylthio)ethyl]-2-pyrrolidinone
CID 20458704
3-Methylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 123884152
3,3-Bis(fluoromethyl)-1,4-dimethyl-5-methylsulfanylpyrrolidin-2-one
CID 156547561
1-[2-(Propylthio)propyl]-2-pyrrolidinone
CID 129806510
1-[2-(Ethylthio)propyl]-2-pyrrolidinone
CID 129807352
1-[2-[[2-(Butylthio)ethyl]thio]ethyl]-2-pyrrolidinone
CID 129809761
(3S)-3-propylsulfanyl-1-pyrrolidin-1-ylbutan-1-one
CID 164674982

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one?
The IUPAC name of 1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one (CID 14417021) is 1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one?
The canonical SMILES for 1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one is CSC1C(=O)N(C)CC1C.
What is the InChIKey of 1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one?
The InChIKey is KUJWSHDUINFSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-5-4-8(2)7(9)6(5)10-3/h5-6H,4H2,1-3H3.
What are the key properties of 1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one?
1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one has a molecular weight of 159.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-methylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 14417021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).