2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide

C15H27N3O2S — CID 115310851

IUPAC2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC(C)(CN)C(C)C
InChIInChI=1S/C15H27N3O2S/c1-5-10-17-21(19,20)14-9-7-6-8-13(14)18-15(4,11-16)12(2)3/h6-9,12,17-18H,5,10-11,16H2,1-4H3
InChIKeyGPJKYHHPMPSARY-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.16
Rot. Bonds8

About 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide

2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide (PubChem CID 115310851) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide
PubChem CID115310851
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC(C)(CN)C(C)C
InChIInChI=1S/C15H27N3O2S/c1-5-10-17-21(19,20)14-9-7-6-8-13(14)18-15(4,11-16)12(2)3/h6-9,12,17-18H,5,10-11,16H2,1-4H3
InChIKeyGPJKYHHPMPSARY-UHFFFAOYSA-N
XLogP2.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide
CID 115310162
2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide
CID 82938360
2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide
CID 106277705
2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide
CID 65110251
2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide
CID 63548795
2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide
CID 104556716
2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide
CID 106308340
N-butyl-2-hydrazinylbenzenesulfonamide
CID 43454845
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide
CID 113287642
N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
CID 106282881
N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide
CID 113284014

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide?
The IUPAC name of 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide (CID 115310851) is 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1NC(C)(CN)C(C)C.
What is the InChIKey of 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide?
The InChIKey is GPJKYHHPMPSARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-10-17-21(19,20)14-9-7-6-8-13(14)18-15(4,11-16)12(2)3/h6-9,12,17-18H,5,10-11,16H2,1-4H3.
What are the key properties of 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide?
2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 115310851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).