N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide

C15H24N2O3S — CID 62871000

IUPACN-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)CCC2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-12-11-14(20-2)3-4-15(12)17-21(18,19)10-7-13-5-8-16-9-6-13/h3-4,11,13,16-17H,5-10H2,1-2H3
InChIKeyORMXVJRUPBXTKU-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.14
Rot. Bonds6

About N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide

N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide (PubChem CID 62871000) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide
PubChem CID62871000
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)CCC2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-12-11-14(20-2)3-4-15(12)17-21(18,19)10-7-13-5-8-16-9-6-13/h3-4,11,13,16-17H,5-10H2,1-2H3
InChIKeyORMXVJRUPBXTKU-UHFFFAOYSA-N
XLogP2.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892098
N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892692
3-(ethylamino)-N-(4-methoxy-2-methylphenyl)propane-1-sulfonamide
CID 106056028
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892291
N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide
CID 54974058
N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide
CID 112746873
4-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 82305645
1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
CID 106056014
N-(2,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210492
N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide
CID 65422631
N-(5-bromo-2-methoxyphenyl)-2-cyclobutylethanesulfonamide
CID 112746951

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide (CID 62871000) is N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide is COc1ccc(NS(=O)(=O)CCC2CCNCC2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide?
The InChIKey is ORMXVJRUPBXTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-11-14(20-2)3-4-15(12)17-21(18,19)10-7-13-5-8-16-9-6-13/h3-4,11,13,16-17H,5-10H2,1-2H3.
What are the key properties of N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide?
N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 62871000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).