(3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one

C10H11FN2OS — CID 129349378

IUPAC(3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one
SMILESCN1CC[C@@H](Sc2ncccc2F)C1=O
InChIInChI=1S/C10H11FN2OS/c1-13-6-4-8(10(13)14)15-9-7(11)3-2-5-12-9/h2-3,5,8H,4,6H2,1H3/t8-/m1/s1
InChIKeyVDCMSWXXTYXOAJ-MRVPVSSYSA-N
MW226.28 g/mol
LogP1.54
Rot. Bonds2

About (3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one

(3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one (PubChem CID 129349378) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is (3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one
PubChem CID129349378
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC Name(3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one
SMILESCN1CC[C@@H](Sc2ncccc2F)C1=O
InChIInChI=1S/C10H11FN2OS/c1-13-6-4-8(10(13)14)15-9-7(11)3-2-5-12-9/h2-3,5,8H,4,6H2,1H3/t8-/m1/s1
InChIKeyVDCMSWXXTYXOAJ-MRVPVSSYSA-N
XLogP1.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-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

(3R)-1-(2,6-difluorophenyl)-3-pyrimidin-2-ylsulfanylpyrrolidin-2-one
CID 124608847
3-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)sulfanylbenzonitrile
CID 71999552
1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one
CID 127002454
4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one
CID 59327010
5-methyl-2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
CID 136675127
2-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
CID 7379246
(3S)-1-methyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyrrolidin-2-one
CID 95346513
1-methyl-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)pyrrolidin-2-one
CID 106253120
2-[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
CID 2242197
2-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid
CID 5074619
2-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
CID 7060641
3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 122572178

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one (CID 129349378) is (3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one is CN1CC[C@@H](Sc2ncccc2F)C1=O.
What is the InChIKey of (3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one?
The InChIKey is VDCMSWXXTYXOAJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11FN2OS/c1-13-6-4-8(10(13)14)15-9-7(11)3-2-5-12-9/h2-3,5,8H,4,6H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one?
(3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one has a molecular weight of 226.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-fluoro-2-pyridinyl)sulfanyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 129349378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).