N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide

C16H23FN2O3S — CID 95159918

IUPACN-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c(F)c1
InChIInChI=1S/C16H23FN2O3S/c1-11(2)16(20)18-13-5-4-8-19(10-13)23(21,22)15-7-6-12(3)9-14(15)17/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyDSQNMQDHQDXIFC-ZDUSSCGKSA-N
MW342.44 g/mol
LogP2.06
Rot. Bonds4

About N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide

N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide (PubChem CID 95159918) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide
PubChem CID95159918
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c(F)c1
InChIInChI=1S/C16H23FN2O3S/c1-11(2)16(20)18-13-5-4-8-19(10-13)23(21,22)15-7-6-12(3)9-14(15)17/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyDSQNMQDHQDXIFC-ZDUSSCGKSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide 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-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
ethyl N-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]carbamate
CID 47065048
tert-butyl (3R)-3-[[(3S)-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]carbamoyl]piperidine-1-carboxylate
CID 51961604
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
CID 62534665
(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124557704
3-fluoro-4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 79187207
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 100779917
2-[[1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727017
1-(2-tert-butyl-4-methylphenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 70913404
1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963060
1-[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984585
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 18086440

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide (CID 95159918) is N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide is Cc1ccc(S(=O)(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c(F)c1.
What is the InChIKey of N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide?
The InChIKey is DSQNMQDHQDXIFC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-11(2)16(20)18-13-5-4-8-19(10-13)23(21,22)15-7-6-12(3)9-14(15)17/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide?
N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 95159918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).