1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine

C15H21ClN2O2S — CID 61204756

IUPAC1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)C=Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2S/c1-17-11-14-3-2-9-18(12-14)21(19,20)10-8-13-4-6-15(16)7-5-13/h4-8,10,14,17H,2-3,9,11-12H2,1H3
InChIKeyOAKFPTNBWRBXJL-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.57
Rot. Bonds5

About 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine

1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine (PubChem CID 61204756) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine
PubChem CID61204756
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)C=Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2S/c1-17-11-14-3-2-9-18(12-14)21(19,20)10-8-13-4-6-15(16)7-5-13/h4-8,10,14,17H,2-3,9,11-12H2,1H3
InChIKeyOAKFPTNBWRBXJL-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332
1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine
CID 76990864
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 55168097
1-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61206042
1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961191
1-[2-(4-chlorophenyl)ethenylsulfonyl]-3-methylpiperidin-4-amine
CID 79868256
1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine
CID 119961026
N-[(4-chlorophenyl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604875
N-(2-bromo-4-chlorophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106073482
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741
1-[1-(5-chloro-2-nitrophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 119961448
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine (CID 61204756) is 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(S(=O)(=O)C=Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine?
The InChIKey is OAKFPTNBWRBXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-17-11-14-3-2-9-18(12-14)21(19,20)10-8-13-4-6-15(16)7-5-13/h4-8,10,14,17H,2-3,9,11-12H2,1H3.
What are the key properties of 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine?
1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine has a molecular weight of 328.87 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 61204756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).