[1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine

C15H21ClN2O2S — CID 77015502

IUPAC[1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine
SMILESCC1CCCC(CN)N1S(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2S/c1-12-3-2-4-15(11-17)18(12)21(19,20)10-9-13-5-7-14(16)8-6-13/h5-10,12,15H,2-4,11,17H2,1H3
InChIKeyCKFONHUKYYUBLS-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.84
Rot. Bonds4

About [1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine

[1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine (PubChem CID 77015502) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is [1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine
PubChem CID77015502
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name[1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine
SMILESCC1CCCC(CN)N1S(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2S/c1-12-3-2-4-15(11-17)18(12)21(19,20)10-9-13-5-7-14(16)8-6-13/h5-10,12,15H,2-4,11,17H2,1H3
InChIKeyCKFONHUKYYUBLS-UHFFFAOYSA-N
XLogP2.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine
CID 76990864
[1-(2,4-dichloro-3-fluorophenyl)sulfonyl-6-methylpiperidin-2-yl]methanamine
CID 103089025
1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine
CID 79868256
1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 77015493
2-(aminomethyl)-N-cyclopropyl-6-methylpiperidine-1-sulfonamide
CID 114810836
3-(4-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 79030316
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 77015416
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-6-methylpiperidin-2-yl]methanamine
CID 107328295
1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine
CID 61204756
ethyl 1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidine-4-carboxylate
CID 26947501
1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylpiperazine
CID 32737598
3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 2931190

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine (CID 77015502) is [1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine is CC1CCCC(CN)N1S(=O)(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of [1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine?
The InChIKey is CKFONHUKYYUBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-12-3-2-4-15(11-17)18(12)21(19,20)10-9-13-5-7-14(16)8-6-13/h5-10,12,15H,2-4,11,17H2,1H3.
What are the key properties of [1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine?
[1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine has a molecular weight of 328.87 g/mol, XLogP of 2.84, 4 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]-6-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 77015502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).