1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide

C17H21N3O2S — CID 99819249

IUPAC1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)c1
InChIInChI=1S/C17H21N3O2S/c1-14-5-4-6-15(11-14)13-23(21,22)19-16-8-10-20(12-16)17-7-2-3-9-18-17/h2-7,9,11,16,19H,8,10,12-13H2,1H3/t16-/m0/s1
InChIKeyYGVIRMCWHYZCKB-INIZCTEOSA-N
MW331.44 g/mol
LogP2.09
Rot. Bonds5

About 1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide

1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 99819249) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID99819249
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)c1
InChIInChI=1S/C17H21N3O2S/c1-14-5-4-6-15(11-14)13-23(21,22)19-16-8-10-20(12-16)17-7-2-3-9-18-17/h2-7,9,11,16,19H,8,10,12-13H2,1H3/t16-/m0/s1
InChIKeyYGVIRMCWHYZCKB-INIZCTEOSA-N
XLogP2.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621458
N-(1-pyridin-2-ylpyrrolidin-3-yl)cyclopropanesulfonamide
CID 90621445
2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
CID 99822478
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
CID 121142963
N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 90621515
N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide
CID 134430978
4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621517
2,3-difluoro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 126768770
4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621471
N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110819327

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 99819249) is 1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide is Cc1cccc(CS(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is YGVIRMCWHYZCKB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-14-5-4-6-15(11-14)13-23(21,22)19-16-8-10-20(12-16)17-7-2-3-9-18-17/h2-7,9,11,16,19H,8,10,12-13H2,1H3/t16-/m0/s1.
What are the key properties of 1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide?
1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 99819249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).