3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide

C14H23N3O3S — CID 43372899

IUPAC3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCOC1CCN(c2ccc(S(=O)(=O)N(C)C)cc2N)CC1
InChIInChI=1S/C14H23N3O3S/c1-16(2)21(18,19)12-4-5-14(13(15)10-12)17-8-6-11(20-3)7-9-17/h4-5,10-11H,6-9,15H2,1-3H3
InChIKeyOVWCAXFVGWCKDP-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.13
Rot. Bonds4

About 3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide

3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 43372899) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID43372899
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCOC1CCN(c2ccc(S(=O)(=O)N(C)C)cc2N)CC1
InChIInChI=1S/C14H23N3O3S/c1-16(2)21(18,19)12-4-5-14(13(15)10-12)17-8-6-11(20-3)7-9-17/h4-5,10-11H,6-9,15H2,1-3H3
InChIKeyOVWCAXFVGWCKDP-UHFFFAOYSA-N
XLogP1.13
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide 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

3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 43584159
3-amino-4-(4-methoxypiperidin-1-yl)benzonitrile
CID 43518180
4-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 115964836
4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide
CID 82900313
4-amino-N,N-dimethyl-3-morpholin-4-ylbenzenesulfonamide
CID 82899628
4-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylbenzenesulfonamide
CID 82899679
3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide
CID 43449076
4-amino-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 102777266
3-amino-4-(3,4-dimethoxypyrrolidin-1-yl)benzenesulfonamide
CID 103530617
3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide
CID 43341136
2-bromo-5-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 115328758
4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide
CID 82900891

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide (CID 43372899) is 3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide is COC1CCN(c2ccc(S(=O)(=O)N(C)C)cc2N)CC1.
What is the InChIKey of 3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is OVWCAXFVGWCKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-16(2)21(18,19)12-4-5-14(13(15)10-12)17-8-6-11(20-3)7-9-17/h4-5,10-11H,6-9,15H2,1-3H3.
What are the key properties of 3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43372899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).