2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide

C15H23N3O2S — CID 107116376

IUPAC2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(N(CC2CC2)C2CC2)c1N
InChIInChI=1S/C15H23N3O2S/c1-17(2)21(19,20)14-5-3-4-13(15(14)16)18(12-8-9-12)10-11-6-7-11/h3-5,11-12H,6-10,16H2,1-2H3
InChIKeySDORQNULGIHPPG-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.90
Rot. Bonds6

About 2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide

2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 107116376) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID107116376
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(N(CC2CC2)C2CC2)c1N
InChIInChI=1S/C15H23N3O2S/c1-17(2)21(19,20)14-5-3-4-13(15(14)16)18(12-8-9-12)10-11-6-7-11/h3-5,11-12H,6-10,16H2,1-2H3
InChIKeySDORQNULGIHPPG-UHFFFAOYSA-N
XLogP1.90
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107115768
2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116258
1-N-cyclopropyl-1-N-ethyl-3-methylsulfonylbenzene-1,2-diamine
CID 82003441
1-N-cyclopropyl-3-methylsulfonyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 82003148
2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol
CID 82002580
2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide
CID 107116637
2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide
CID 107116318
1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone
CID 64520568
2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107116779
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline
CID 64522590
2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide
CID 107116226

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide (CID 107116376) is 2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(N(CC2CC2)C2CC2)c1N.
What is the InChIKey of 2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is SDORQNULGIHPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-17(2)21(19,20)14-5-3-4-13(15(14)16)18(12-8-9-12)10-11-6-7-11/h3-5,11-12H,6-10,16H2,1-2H3.
What are the key properties of 2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide?
2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 107116376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).