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

C11H26N2O2S — CID 62009043

IUPACN-(1-amino-2-methylbutan-2-yl)-N-propylpropane-1-sulfonamide
SMILESCCCN(C(C)(CC)CN)S(=O)(=O)CCC
InChIInChI=1S/C11H26N2O2S/c1-5-8-13(11(4,7-3)10-12)16(14,15)9-6-2/h5-10,12H2,1-4H3
InChIKeyAQDUYIWZDGDPJX-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.57
Rot. Bonds8

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

N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-1-sulfonamide (PubChem CID 62009043) 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-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-N-propylpropane-1-sulfonamide
PubChem CID62009043
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-N-propylpropane-1-sulfonamide
SMILESCCCN(C(C)(CC)CN)S(=O)(=O)CCC
InChIInChI=1S/C11H26N2O2S/c1-5-8-13(11(4,7-3)10-12)16(14,15)9-6-2/h5-10,12H2,1-4H3
InChIKeyAQDUYIWZDGDPJX-UHFFFAOYSA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-1-sulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-1-sulfonamide (CID 62009043) is N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-1-sulfonamide is CCCN(C(C)(CC)CN)S(=O)(=O)CCC.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-1-sulfonamide?
The InChIKey is AQDUYIWZDGDPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-5-8-13(11(4,7-3)10-12)16(14,15)9-6-2/h5-10,12H2,1-4H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-1-sulfonamide?
N-(1-amino-2-methylbutan-2-yl)-N-propylpropane-1-sulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.57, 8 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-1-sulfonamide is sourced from PubChem (CID 62009043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).