3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide

C14H23N3O2S — CID 63275930

IUPAC3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C14H23N3O2S/c1-11-13(15)5-4-6-14(11)20(18,19)17(3)10-12-7-8-16(2)9-12/h4-6,12H,7-10,15H2,1-3H3
InChIKeyWIJWTLMSETWNBZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.15
Rot. Bonds4

About 3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide

3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 63275930) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID63275930
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C14H23N3O2S/c1-11-13(15)5-4-6-14(11)20(18,19)17(3)10-12-7-8-16(2)9-12/h4-6,12H,7-10,15H2,1-3H3
InChIKeyWIJWTLMSETWNBZ-UHFFFAOYSA-N
XLogP1.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide (CID 63275930) is 3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)N(C)CC1CCN(C)C1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is WIJWTLMSETWNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-13(15)5-4-6-14(11)20(18,19)17(3)10-12-7-8-16(2)9-12/h4-6,12H,7-10,15H2,1-3H3.
What are the key properties of 3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 63275930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).