(3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine

C15H19FN4O2S — CID 90404562

IUPAC(3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine
SMILESCc1nc(S(=O)(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](N)C2)cn1C
InChIInChI=1S/C15H19FN4O2S/c1-10-18-15(9-19(10)2)23(21,22)20-7-13(14(17)8-20)11-3-5-12(16)6-4-11/h3-6,9,13-14H,7-8,17H2,1-2H3/t13-,14+/m1/s1
InChIKeyQJPAUUKZHXVXCL-KGLIPLIRSA-N
MW338.41 g/mol
LogP0.98
Rot. Bonds3

About (3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine

(3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine (PubChem CID 90404562) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is (3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine
PubChem CID90404562
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name(3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine
SMILESCc1nc(S(=O)(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](N)C2)cn1C
InChIInChI=1S/C15H19FN4O2S/c1-10-18-15(9-19(10)2)23(21,22)20-7-13(14(17)8-20)11-3-5-12(16)6-4-11/h3-6,9,13-14H,7-8,17H2,1-2H3/t13-,14+/m1/s1
InChIKeyQJPAUUKZHXVXCL-KGLIPLIRSA-N
XLogP0.98
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)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

(3S,4R)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 90405464
[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanol
CID 90405657
4-(3-bromopyrrolidin-1-yl)sulfonyl-1,2-dimethylimidazole
CID 80667755
(2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine
CID 95167565
1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105659
(3S,4R)-1-(3,5-difluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767014
1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779338
1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63033046
[1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960889
N-[[(3R,4R)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]propan-1-amine
CID 90406385
(1S,2S,4S)-4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-(4-fluorophenyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 146120126
(3S,4R)-1-(3-methyltriazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120876860

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine (CID 90404562) is (3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine is Cc1nc(S(=O)(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](N)C2)cn1C.
What is the InChIKey of (3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine?
The InChIKey is QJPAUUKZHXVXCL-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-10-18-15(9-19(10)2)23(21,22)20-7-13(14(17)8-20)11-3-5-12(16)6-4-11/h3-6,9,13-14H,7-8,17H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine?
(3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine has a molecular weight of 338.41 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 90404562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).