N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

C18H23ClN2O2S — CID 119991254

IUPACN-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-19-14-17-8-5-13-20(17)23(21,22)18-11-9-16(10-12-18)15-6-3-2-4-7-15;/h2-4,6-7,9-12,17,19H,5,8,13-14H2,1H3;1H
InChIKeyAUNCOMWRQDZWST-UHFFFAOYSA-N
MW366.91 g/mol
LogP3.15
Rot. Bonds5

About N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119991254) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119991254
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC NameN-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-19-14-17-8-5-13-20(17)23(21,22)18-11-9-16(10-12-18)15-6-3-2-4-7-15;/h2-4,6-7,9-12,17,19H,5,8,13-14H2,1H3;1H
InChIKeyAUNCOMWRQDZWST-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;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

1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine
CID 74224270
N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 115316524
N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991320
2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride
CID 119991239
1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
CID 119991099
N-methyl-1-[1-[4-(3-methylbutoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991195
1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316542
1-[(2S)-1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574951
1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 120712080
N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286245
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990859

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (CID 119991254) is N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is CNCC1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is AUNCOMWRQDZWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S.ClH/c1-19-14-17-8-5-13-20(17)23(21,22)18-11-9-16(10-12-18)15-6-3-2-4-7-15;/h2-4,6-7,9-12,17,19H,5,8,13-14H2,1H3;1H.
What are the key properties of N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 366.91 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119991254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).