(3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride

C16H25ClN2O3S — CID 154897375

IUPAC(3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride
SMILESCOc1cccc([C@H]2CN(S(=O)(=O)C3CC3)C[C@@H]2N(C)C)c1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-17(2)16-11-18(22(19,20)14-7-8-14)10-15(16)12-5-4-6-13(9-12)21-3;/h4-6,9,14-16H,7-8,10-11H2,1-3H3;1H/t15-,16+;/m1./s1
InChIKeyAAEAYEMXNWZGSH-RCPFAERMSA-N
MW360.91 g/mol
LogP1.94
Rot. Bonds5

About (3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride

(3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride (PubChem CID 154897375) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is (3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride
PubChem CID154897375
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name(3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride
SMILESCOc1cccc([C@H]2CN(S(=O)(=O)C3CC3)C[C@@H]2N(C)C)c1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-17(2)16-11-18(22(19,20)14-7-8-14)10-15(16)12-5-4-6-13(9-12)21-3;/h4-6,9,14-16H,7-8,10-11H2,1-3H3;1H/t15-,16+;/m1./s1
InChIKeyAAEAYEMXNWZGSH-RCPFAERMSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride 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

(3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide
CID 86283654
(2R,3R,6R)-5-cyclopropylsulfonyl-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56888490
(2R,3S,6R)-5-cyclopropylsulfonyl-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56887688
(3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid
CID 72920244
3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octane
CID 19802591
1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride
CID 22883942
(3R,4S)-1-(benzenesulfonyl)-4-(3-methoxyphenyl)-N-methyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93154582
8-[(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 67371108
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
(3aS,4R,7aS)-4-(3-methoxyphenyl)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 154523461
(3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 98752346
(3S)-1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 95131826

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride (CID 154897375) is (3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride is COc1cccc([C@H]2CN(S(=O)(=O)C3CC3)C[C@@H]2N(C)C)c1.Cl.
What is the InChIKey of (3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride?
The InChIKey is AAEAYEMXNWZGSH-RCPFAERMSA-N. The full InChI is InChI=1S/C16H24N2O3S.ClH/c1-17(2)16-11-18(22(19,20)14-7-8-14)10-15(16)12-5-4-6-13(9-12)21-3;/h4-6,9,14-16H,7-8,10-11H2,1-3H3;1H/t15-,16+;/m1./s1.
What are the key properties of (3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride?
(3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 154897375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).