1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one

C11H13FN2OS — CID 168672168

IUPAC1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESNc1cccc(F)c1N1CC(CS)CC1=O
InChIInChI=1S/C11H13FN2OS/c12-8-2-1-3-9(13)11(8)14-5-7(6-16)4-10(14)15/h1-3,7,16H,4-6,13H2
InChIKeyCLVCZCJMDMHPKV-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.69
Rot. Bonds2

About 1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one

1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 168672168) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID168672168
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESNc1cccc(F)c1N1CC(CS)CC1=O
InChIInChI=1S/C11H13FN2OS/c12-8-2-1-3-9(13)11(8)14-5-7(6-16)4-10(14)15/h1-3,7,16H,4-6,13H2
InChIKeyCLVCZCJMDMHPKV-UHFFFAOYSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-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

1-(2-fluoro-6-methylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670683
1-(6-amino-2,3-difluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671334
1-(2,6-dichlorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671276
1-(2,6-dibromophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671218
4-(sulfanylmethyl)-1-(2,4,6-trifluorophenyl)pyrrolidin-2-one
CID 168671314
1-[2,6-di(propan-2-yl)phenyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669679
1-[(2,6-difluorophenyl)methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671051
1-(2-ethyl-6-methylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669897
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
1-(4-fluoro-1,3-benzothiazol-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672319
1-(2-amino-5-bromo-4-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671324
1-(2,3-difluoro-6-nitrophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671370

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one (CID 168672168) is 1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one is Nc1cccc(F)c1N1CC(CS)CC1=O.
What is the InChIKey of 1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is CLVCZCJMDMHPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c12-8-2-1-3-9(13)11(8)14-5-7(6-16)4-10(14)15/h1-3,7,16H,4-6,13H2.
What are the key properties of 1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 240.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168672168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).