5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline

C15H24N2O3S — CID 79962249

IUPAC5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)N1CCCC(C)C1C
InChIInChI=1S/C15H24N2O3S/c1-10-6-5-7-17(12(10)3)21(18,19)15-9-13(16)11(2)8-14(15)20-4/h8-10,12H,5-7,16H2,1-4H3
InChIKeyOFTWCZOGNAPVOJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.39
Rot. Bonds3

About 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline

5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline (PubChem CID 79962249) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline.

Molecular Properties

Compound Name5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline
PubChem CID79962249
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)N1CCCC(C)C1C
InChIInChI=1S/C15H24N2O3S/c1-10-6-5-7-17(12(10)3)21(18,19)15-9-13(16)11(2)8-14(15)20-4/h8-10,12H,5-7,16H2,1-4H3
InChIKeyOFTWCZOGNAPVOJ-UHFFFAOYSA-N
XLogP2.39
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 102945935
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline
CID 114625577
5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline
CID 79961883
[(2S)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285957
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
2,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 55039995
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-nitroaniline
CID 82846493
1-(5-amino-2-methoxy-4-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol
CID 107213040
4-amino-2-(2,3-dimethylpiperidin-1-yl)sulfonylbenzoic acid
CID 102931184
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919345
[(2S)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110286074
[5-(2,3-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylphenyl]methanamine
CID 81428114

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline?
The IUPAC name of 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline (CID 79962249) is 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline.
What is the SMILES notation for 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline?
The canonical SMILES for 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline is COc1cc(C)c(N)cc1S(=O)(=O)N1CCCC(C)C1C.
What is the InChIKey of 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline?
The InChIKey is OFTWCZOGNAPVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-6-5-7-17(12(10)3)21(18,19)15-9-13(16)11(2)8-14(15)20-4/h8-10,12H,5-7,16H2,1-4H3.
What are the key properties of 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline?
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline has a molecular weight of 312.44 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline is sourced from PubChem (CID 79962249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).