1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine

C14H19ClN2O2S — CID 79868256

IUPAC1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine
SMILESCC1CN(S(=O)(=O)C=Cc2ccc(Cl)cc2)CCC1N
InChIInChI=1S/C14H19ClN2O2S/c1-11-10-17(8-6-14(11)16)20(18,19)9-7-12-2-4-13(15)5-3-12/h2-5,7,9,11,14H,6,8,10,16H2,1H3
InChIKeyQVELPETZVOISQW-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.31
Rot. Bonds3

About 1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine

1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine (PubChem CID 79868256) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine
PubChem CID79868256
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine
SMILESCC1CN(S(=O)(=O)C=Cc2ccc(Cl)cc2)CCC1N
InChIInChI=1S/C14H19ClN2O2S/c1-11-10-17(8-6-14(11)16)20(18,19)9-7-12-2-4-13(15)5-3-12/h2-5,7,9,11,14H,6,8,10,16H2,1H3
InChIKeyQVELPETZVOISQW-UHFFFAOYSA-N
XLogP2.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidine-4-carboxylate
CID 26947501
1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine
CID 32737598
1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868262
1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine
CID 61204756
1-[2-(4-chlorophenyl)ethenylsulfonyl]-4-ethylpiperazine
CID 78687053
1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868603
3-methyl-1-methylsulfonylpiperidin-4-amine
CID 67385582
1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984069
[1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine
CID 77015502
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868073
4-[2-(4-chlorophenyl)ethenylsulfonyl]piperazine-2,6-dione
CID 77111427
1-[[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-4-yl]methyl]-4-pyridin-4-ylpiperazine
CID 70280894

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine (CID 79868256) is 1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine is CC1CN(S(=O)(=O)C=Cc2ccc(Cl)cc2)CCC1N.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine?
The InChIKey is QVELPETZVOISQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-11-10-17(8-6-14(11)16)20(18,19)9-7-12-2-4-13(15)5-3-12/h2-5,7,9,11,14H,6,8,10,16H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine?
1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine has a molecular weight of 314.84 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 79868256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).