N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide

C15H21N3O3S — CID 133109861

IUPACN-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C1CC1
InChIInChI=1S/C15H21N3O3S/c1-22(20,21)17-14-10-18(9-13(14)12-4-5-12)15(19)7-11-3-2-6-16-8-11/h2-3,6,8,12-14,17H,4-5,7,9-10H2,1H3/t13-,14+/m0/s1
InChIKeyJSMQSVVEXVNMOF-UONOGXRCSA-N
MW323.42 g/mol
LogP0.41
Rot. Bonds5

About N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 133109861) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID133109861
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C1CC1
InChIInChI=1S/C15H21N3O3S/c1-22(20,21)17-14-10-18(9-13(14)12-4-5-12)15(19)7-11-3-2-6-16-8-11/h2-3,6,8,12-14,17H,4-5,7,9-10H2,1H3/t13-,14+/m0/s1
InChIKeyJSMQSVVEXVNMOF-UONOGXRCSA-N
XLogP0.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide 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-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-pyridin-3-ylethanone
CID 134706619
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 96582023
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
1-[(5S,6S)-6-hydroxy-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-3-ylethanone
CID 110156144
ethyl (3aS,4S,5S,7aR)-5-methyl-2-(2-pyridin-3-ylacetyl)-1,3,3a,4,5,7a-hexahydroisoindole-4-carboxylate
CID 154568532
1-[(3aR,4S,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(3-methoxyphenyl)ethanone
CID 110142297
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
1-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95829700
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 81208117
1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 110468074

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide (CID 133109861) is N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C1CC1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is JSMQSVVEXVNMOF-UONOGXRCSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-22(20,21)17-14-10-18(9-13(14)12-4-5-12)15(19)7-11-3-2-6-16-8-11/h2-3,6,8,12-14,17H,4-5,7,9-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 133109861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).