2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide

C15H27N3O2S — CID 79665643

IUPAC2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCCN(CC(C)(C)CN)c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H27N3O2S/c1-6-18(12-15(2,3)11-16)13-9-7-8-10-14(13)21(19,20)17(4)5/h7-10H,6,11-12,16H2,1-5H3
InChIKeyZVAWAEYYCGQJKU-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.75
Rot. Bonds7

About 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide

2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 79665643) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID79665643
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCCN(CC(C)(C)CN)c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H27N3O2S/c1-6-18(12-15(2,3)11-16)13-9-7-8-10-14(13)21(19,20)17(4)5/h7-10H,6,11-12,16H2,1-5H3
InChIKeyZVAWAEYYCGQJKU-UHFFFAOYSA-N
XLogP1.75
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-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

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 79389604
2-[(1-bromo-2-methylpropan-2-yl)-methylamino]-N,N-dimethylbenzenesulfonamide
CID 113476487
2-[1-bromopropan-2-yl(methyl)amino]-N,N-dimethylbenzenesulfonamide
CID 113426409
1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79390069
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide
CID 79389694
N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 63765318
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 119991411
N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide
CID 79652331
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 79378942
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521
N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide
CID 79664125
N'-ethyl-N'-(2-iodo-4-nitrophenyl)-2,2-dimethylpropane-1,3-diamine
CID 79661768

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide (CID 79665643) is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide is CCN(CC(C)(C)CN)c1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZVAWAEYYCGQJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-18(12-15(2,3)11-16)13-9-7-8-10-14(13)21(19,20)17(4)5/h7-10H,6,11-12,16H2,1-5H3.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide?
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 79665643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).