1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

C15H23ClN2O2S — CID 79609321

IUPAC1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCNC(CC1CCCN(S(C)(=O)=O)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2S/c1-17-15(13-6-3-7-14(16)10-13)9-12-5-4-8-18(11-12)21(2,19)20/h3,6-7,10,12,15,17H,4-5,8-9,11H2,1-2H3
InChIKeyYGLGYHVYGWEPLP-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.66
Rot. Bonds5

About 1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (PubChem CID 79609321) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
PubChem CID79609321
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCNC(CC1CCCN(S(C)(=O)=O)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2S/c1-17-15(13-6-3-7-14(16)10-13)9-12-5-4-8-18(11-12)21(2,19)20/h3,6-7,10,12,15,17H,4-5,8-9,11H2,1-2H3
InChIKeyYGLGYHVYGWEPLP-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 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 ≤ 52.66
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
2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619905
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011016
1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167000
1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609528
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine
CID 79609569
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610045
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
3-[3-chloro-2-(3-fluorophenyl)propyl]-1-methylsulfonylpiperidine
CID 79620402
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-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline
CID 105223840

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (CID 79609321) is 1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is CNC(CC1CCCN(S(C)(=O)=O)C1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The InChIKey is YGLGYHVYGWEPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-17-15(13-6-3-7-14(16)10-13)9-12-5-4-8-18(11-12)21(2,19)20/h3,6-7,10,12,15,17H,4-5,8-9,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine has a molecular weight of 330.88 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 79609321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).