(3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine

C17H24N4O2S — CID 70771130

IUPAC(3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccc([C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]2N(C)C)cc1
InChIInChI=1S/C17H24N4O2S/c1-13-5-7-14(8-6-13)15-9-21(10-16(15)19(2)3)24(22,23)17-11-20(4)12-18-17/h5-8,11-12,15-16H,9-10H2,1-4H3/t15-,16+/m0/s1
InChIKeyOLIGZJCTOVBMQN-JKSUJKDBSA-N
MW348.47 g/mol
LogP1.45
Rot. Bonds4

About (3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine

(3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine (PubChem CID 70771130) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is (3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine
PubChem CID70771130
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name(3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccc([C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]2N(C)C)cc1
InChIInChI=1S/C17H24N4O2S/c1-13-5-7-14(8-6-13)15-9-21(10-16(15)19(2)3)24(22,23)17-11-20(4)12-18-17/h5-8,11-12,15-16H,9-10H2,1-4H3/t15-,16+/m0/s1
InChIKeyOLIGZJCTOVBMQN-JKSUJKDBSA-N
XLogP1.45
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine 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

ethyl-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]carbamic acid
CID 138541430
(3S,4R)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 90405464
(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine
CID 72916390
(3aS,5R,6R,7aR)-6-methoxy-N,N-dimethyl-2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 172655559
[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanol
CID 90405657
1-methyl-4-[(3R,4R)-3-phenoxy-4-phenylpyrrolidin-1-yl]sulfonylimidazole
CID 125481047
[(3S,4R)-4-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]carbamic acid
CID 90405790
2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 71861370
4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-[(2-methylphenyl)methyl]pyrrolidin-3-amine
CID 90405449
(3S,4R)-4-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90406782
N-[[4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]-3-methylaniline
CID 90405704
4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole
CID 121164701

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine (CID 70771130) is (3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine is Cc1ccc([C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]2N(C)C)cc1.
What is the InChIKey of (3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine?
The InChIKey is OLIGZJCTOVBMQN-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-5-7-14(8-6-13)15-9-21(10-16(15)19(2)3)24(22,23)17-11-20(4)12-18-17/h5-8,11-12,15-16H,9-10H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine?
(3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine has a molecular weight of 348.47 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N,N-dimethyl-1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 70771130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).