(3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride

C18H23ClN2O2S — CID 120766936

IUPAC(3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(S(=O)(=O)CCc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H22N2O2S.ClH/c19-18-14-20(13-17(18)16-9-5-2-6-10-16)23(21,22)12-11-15-7-3-1-4-8-15;/h1-10,17-18H,11-14,19H2;1H/t17-,18+;/m0./s1
InChIKeyHABVZXLFSJJJOK-CJRXIRLBSA-N
MW366.91 g/mol
LogP2.41
Rot. Bonds5

About (3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride

(3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 120766936) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride
PubChem CID120766936
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name(3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(S(=O)(=O)CCc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H22N2O2S.ClH/c19-18-14-20(13-17(18)16-9-5-2-6-10-16)23(21,22)12-11-15-7-3-1-4-8-15;/h1-10,17-18H,11-14,19H2;1H/t17-,18+;/m0./s1
InChIKeyHABVZXLFSJJJOK-CJRXIRLBSA-N
XLogP2.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-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

(3S,4R)-1-but-3-enylsulfonyl-4-phenylpyrrolidin-3-amine
CID 120766853
(3S,4R)-1-[(3-methylphenyl)methylsulfonyl]-4-phenylpyrrolidin-3-amine
CID 120766618
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine
CID 114263407
2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine
CID 47958840
(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120767038
[(3R,4R)-1-(2-methylsulfonylethylsulfonyl)-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120766071
3-ethyl-1-(2-phenylethylsulfonyl)piperidin-4-amine
CID 81457446
(3S,4R)-3-amino-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide;hydrochloride
CID 120876883
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 120749289
(3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 120766691
(3S,4R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-4-phenylpyrrolidin-3-amine
CID 120766867

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride (CID 120766936) is (3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CN(S(=O)(=O)CCc2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is HABVZXLFSJJJOK-CJRXIRLBSA-N. The full InChI is InChI=1S/C18H22N2O2S.ClH/c19-18-14-20(13-17(18)16-9-5-2-6-10-16)23(21,22)12-11-15-7-3-1-4-8-15;/h1-10,17-18H,11-14,19H2;1H/t17-,18+;/m0./s1.
What are the key properties of (3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride?
(3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 366.91 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120766936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).