3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine

C11H26N2O2S — CID 102912947

IUPAC3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine
SMILESCC(C)NS(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-8(2)11(9(3)4)7-12-16(14,15)13-10(5)6/h8-13H,7H2,1-6H3
InChIKeyZSIPWGNSWHCBHT-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.75
Rot. Bonds7

About 3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine

3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine (PubChem CID 102912947) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine
PubChem CID102912947
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC Name3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine
SMILESCC(C)NS(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-8(2)11(9(3)4)7-12-16(14,15)13-10(5)6/h8-13H,7H2,1-6H3
InChIKeyZSIPWGNSWHCBHT-UHFFFAOYSA-N
XLogP1.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine 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 3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine?
The IUPAC name of 3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine (CID 102912947) is 3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine?
The canonical SMILES for 3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine is CC(C)NS(=O)(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine?
The InChIKey is ZSIPWGNSWHCBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-8(2)11(9(3)4)7-12-16(14,15)13-10(5)6/h8-13H,7H2,1-6H3.
What are the key properties of 3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine?
3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-N-(propan-2-ylsulfamoyl)butan-1-amine is sourced from PubChem (CID 102912947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).