1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine

C15H23ClN2O2S — CID 107091546

IUPAC1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(S(=O)(=O)N2CC(C)CCC2C)cc1Cl
InChIInChI=1S/C15H23ClN2O2S/c1-11-4-5-12(2)18(10-11)21(19,20)14-7-6-13(9-17-3)15(16)8-14/h6-8,11-12,17H,4-5,9-10H2,1-3H3
InChIKeyANABUPAUXNYSLT-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.87
Rot. Bonds4

About 1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine

1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine (PubChem CID 107091546) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
PubChem CID107091546
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(S(=O)(=O)N2CC(C)CCC2C)cc1Cl
InChIInChI=1S/C15H23ClN2O2S/c1-11-4-5-12(2)18(10-11)21(19,20)14-7-6-13(9-17-3)15(16)8-14/h6-8,11-12,17H,4-5,9-10H2,1-3H3
InChIKeyANABUPAUXNYSLT-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 107091372
3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide
CID 107091648
1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 107091277
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359
[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090902
3-chloro-4-(methylaminomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 106046479
1-[2-chloro-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317216
3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106069106
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106094827
2-[4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanethioamide
CID 79203709
3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091710
3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091650

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine (CID 107091546) is 1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine is CNCc1ccc(S(=O)(=O)N2CC(C)CCC2C)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
The InChIKey is ANABUPAUXNYSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-11-4-5-12(2)18(10-11)21(19,20)14-7-6-13(9-17-3)15(16)8-14/h6-8,11-12,17H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine?
1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine has a molecular weight of 330.88 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine is sourced from PubChem (CID 107091546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).