2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide

C13H21N3O2S — CID 63759663

IUPAC2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCC(N)C1CC1
InChIInChI=1S/C13H21N3O2S/c1-16(2)19(17,18)13-6-4-3-5-12(13)15-9-11(14)10-7-8-10/h3-6,10-11,15H,7-9,14H2,1-2H3
InChIKeyULQVSYOJBJGYDV-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.09
Rot. Bonds6

About 2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide

2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 63759663) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID63759663
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCC(N)C1CC1
InChIInChI=1S/C13H21N3O2S/c1-16(2)19(17,18)13-6-4-3-5-12(13)15-9-11(14)10-7-8-10/h3-6,10-11,15H,7-9,14H2,1-2H3
InChIKeyULQVSYOJBJGYDV-UHFFFAOYSA-N
XLogP1.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-cyclopropylethyl)amino]-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide (CID 63759663) is 2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1NCC(N)C1CC1.
What is the InChIKey of 2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ULQVSYOJBJGYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16(2)19(17,18)13-6-4-3-5-12(13)15-9-11(14)10-7-8-10/h3-6,10-11,15H,7-9,14H2,1-2H3.
What are the key properties of 2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide?
2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 63759663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).