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

C15H21ClN2O2S — CID 76990864

IUPAC1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1S(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2S/c1-17-12-15-4-2-3-10-18(15)21(19,20)11-9-13-5-7-14(16)8-6-13/h5-9,11,15,17H,2-4,10,12H2,1H3
InChIKeyOCBJDTHYECTZHP-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.71
Rot. Bonds5

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

1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine (PubChem CID 76990864) 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-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine
PubChem CID76990864
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1S(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2S/c1-17-12-15-4-2-3-10-18(15)21(19,20)11-9-13-5-7-14(16)8-6-13/h5-9,11,15,17H,2-4,10,12H2,1H3
InChIKeyOCBJDTHYECTZHP-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine
CID 61204756
[1-[2-(4-chlorophenyl)ethenylsulfonyl]-6-methylpiperidin-2-yl]methanamine
CID 77015502
N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 63249919
N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115316522
1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680781
1-[1-[(3,5-dichlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 119990947
N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106087941
1-[1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316506
N-(3-bromo-4-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070944
N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106030566
N-(5-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056721

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine (CID 76990864) is 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1S(=O)(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine?
The InChIKey is OCBJDTHYECTZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-17-12-15-4-2-3-10-18(15)21(19,20)11-9-13-5-7-14(16)8-6-13/h5-9,11,15,17H,2-4,10,12H2,1H3.
What are the key properties of 1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine?
1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine has a molecular weight of 328.87 g/mol, XLogP of 2.71, 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-2-yl]-N-methylmethanamine is sourced from PubChem (CID 76990864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).