(3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine

C18H23ClN4O3S — CID 90405334

IUPAC(3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine
SMILESCn1cnc(S(=O)(=O)N2C[C@@H](Nc3cccc(Cl)c3)[C@H](C3CCOC3)C2)c1
InChIInChI=1S/C18H23ClN4O3S/c1-22-10-18(20-12-22)27(24,25)23-8-16(13-5-6-26-11-13)17(9-23)21-15-4-2-3-14(19)7-15/h2-4,7,10,12-13,16-17,21H,5-6,8-9,11H2,1H3/t13?,16-,17+/m0/s1
InChIKeyOFYNBHIRILULPL-ZMKYACIDSA-N
MW410.93 g/mol
LogP2.21
Rot. Bonds5

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

(3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine (PubChem CID 90405334) has the molecular formula C18H23ClN4O3S and a molecular weight of 410.93 g/mol. Its IUPAC name is (3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine
PubChem CID90405334
Molecular FormulaC18H23ClN4O3S
Molecular Weight410.93 g/mol
Exact Mass410.12
IUPAC Name(3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine
SMILESCn1cnc(S(=O)(=O)N2C[C@@H](Nc3cccc(Cl)c3)[C@H](C3CCOC3)C2)c1
InChIInChI=1S/C18H23ClN4O3S/c1-22-10-18(20-12-22)27(24,25)23-8-16(13-5-6-26-11-13)17(9-23)21-15-4-2-3-14(19)7-15/h2-4,7,10,12-13,16-17,21H,5-6,8-9,11H2,1H3/t13?,16-,17+/m0/s1
InChIKeyOFYNBHIRILULPL-ZMKYACIDSA-N
XLogP2.21
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)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)-N-(3-chlorophenyl)-4-cyclopropyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90404681
(3S,4R)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-3-amine
CID 90405846
(3R,4S)-N-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine
CID 90406351
(3S,4R)-4-(2-chlorophenyl)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90406649
4-chloro-N-[2-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]benzamide
CID 46213935
(3R,4S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-2-yl)pyrrolidin-3-amine
CID 90405553
N-(3-chloro-4-fluorophenyl)-4-(3-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90404157
(3S,4R)-N-(3-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 90404978
(3S,4R)-1-(1-methylimidazol-4-yl)sulfonyl-4-[(3S)-oxan-3-yl]pyrrolidin-3-amine
CID 90405862
(3R,4S)-N-(3-chloro-4-fluorophenyl)-4-(2-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90406408
(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenyl-N-(3-piperidin-4-ylphenyl)pyrrolidin-3-amine
CID 90404828
4-(3-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-phenylpyrrolidin-3-amine
CID 90404613

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine (CID 90405334) is (3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine is Cn1cnc(S(=O)(=O)N2C[C@@H](Nc3cccc(Cl)c3)[C@H](C3CCOC3)C2)c1.
What is the InChIKey of (3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine?
The InChIKey is OFYNBHIRILULPL-ZMKYACIDSA-N. The full InChI is InChI=1S/C18H23ClN4O3S/c1-22-10-18(20-12-22)27(24,25)23-8-16(13-5-6-26-11-13)17(9-23)21-15-4-2-3-14(19)7-15/h2-4,7,10,12-13,16-17,21H,5-6,8-9,11H2,1H3/t13?,16-,17+/m0/s1.
What are the key properties of (3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine?
(3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine has a molecular weight of 410.93 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-(3-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 90405334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).