2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine

C15H23ClN2O2S — CID 79619905

IUPAC2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
SMILESCS(=O)(=O)N1CCCC(CC(CN)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H23ClN2O2S/c1-21(19,20)18-7-3-4-12(11-18)8-14(10-17)13-5-2-6-15(16)9-13/h2,5-6,9,12,14H,3-4,7-8,10-11,17H2,1H3
InChIKeyYJWZZUQELTZPES-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.44
Rot. Bonds5

About 2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine

2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine (PubChem CID 79619905) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
PubChem CID79619905
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
SMILESCS(=O)(=O)N1CCCC(CC(CN)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H23ClN2O2S/c1-21(19,20)18-7-3-4-12(11-18)8-14(10-17)13-5-2-6-15(16)9-13/h2,5-6,9,12,14H,3-4,7-8,10-11,17H2,1H3
InChIKeyYJWZZUQELTZPES-UHFFFAOYSA-N
XLogP2.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylsulfonylpiperidine
CID 79620403
1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609321
3-[3-chloro-2-(3-fluorophenyl)propyl]-1-methylsulfonylpiperidine
CID 79620402
4-(1-methylsulfonylpiperidin-3-yl)-2-phenylbutan-1-amine
CID 81011290
1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609528
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
1-(2,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011096
1-(3-chloro-4-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612155
2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
CID 79620266
2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619745
2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine
CID 114192546
2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
CID 79623080

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine (CID 79619905) is 2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine is CS(=O)(=O)N1CCCC(CC(CN)c2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
The InChIKey is YJWZZUQELTZPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-21(19,20)18-7-3-4-12(11-18)8-14(10-17)13-5-2-6-15(16)9-13/h2,5-6,9,12,14H,3-4,7-8,10-11,17H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine has a molecular weight of 330.88 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine is sourced from PubChem (CID 79619905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).