N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide

C12H28N2O2S — CID 62009247

IUPACN-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC)C(C)(CC)CN
InChIInChI=1S/C12H28N2O2S/c1-5-8-10-17(15,16)14(9-6-2)12(4,7-3)11-13/h5-11,13H2,1-4H3
InChIKeyYQBDEUSCFNLYTG-UHFFFAOYSA-N
MW264.43 g/mol
LogP1.96
Rot. Bonds9

About N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide

N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide (PubChem CID 62009247) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide
PubChem CID62009247
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC)C(C)(CC)CN
InChIInChI=1S/C12H28N2O2S/c1-5-8-10-17(15,16)14(9-6-2)12(4,7-3)11-13/h5-11,13H2,1-4H3
InChIKeyYQBDEUSCFNLYTG-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide 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

N-(1-amino-2-methylbutan-2-yl)-N-ethylpropane-1-sulfonamide
CID 62009447
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172878
N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide
CID 62008250
1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
CID 114803901
N-(1-amino-2-methylpropan-2-yl)-2-ethoxy-N-propylethanesulfonamide
CID 55175655
2-N-(dimethylsulfamoyl)-2-N-ethyl-2-methylbutane-1,2-diamine
CID 62010456
N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide
CID 18735834
N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-ethylmethanesulfonamide
CID 62008647
N-(1-amino-2-methylbutan-2-yl)-N-methyl-2-methylsulfonylethanesulfonamide
CID 63244989
N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide
CID 82840218
N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide
CID 80686235
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide (CID 62009247) is N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide is CCCCS(=O)(=O)N(CCC)C(C)(CC)CN.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide?
The InChIKey is YQBDEUSCFNLYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-5-8-10-17(15,16)14(9-6-2)12(4,7-3)11-13/h5-11,13H2,1-4H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide?
N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide has a molecular weight of 264.43 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 62009247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).