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

C11H26N2O2S — CID 62007858

IUPACN-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide
SMILESCCCN(C(C)(CC)CN)S(=O)(=O)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-6-8-13(11(5,7-2)9-12)16(14,15)10(3)4/h10H,6-9,12H2,1-5H3
InChIKeyZRIZVTHRGYFCJA-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.56
Rot. Bonds7

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

N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide (PubChem CID 62007858) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide
PubChem CID62007858
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide
SMILESCCCN(C(C)(CC)CN)S(=O)(=O)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-6-8-13(11(5,7-2)9-12)16(14,15)10(3)4/h10H,6-9,12H2,1-5H3
InChIKeyZRIZVTHRGYFCJA-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide 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 N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide (CID 62007858) is N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide is CCCN(C(C)(CC)CN)S(=O)(=O)C(C)C.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide?
The InChIKey is ZRIZVTHRGYFCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-6-8-13(11(5,7-2)9-12)16(14,15)10(3)4/h10H,6-9,12H2,1-5H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide?
N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-2-sulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.56, 7 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-propylpropane-2-sulfonamide is sourced from PubChem (CID 62007858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).