N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine

C12H28N2O2S — CID 12708049

IUPACN-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H28N2O2S/c1-10(2,3)9-12(7,8)14-17(15,16)13-11(4,5)6/h13-14H,9H2,1-8H3
InChIKeyDXMOEDUZLMCOCV-UHFFFAOYSA-N
MW264.43 g/mol
LogP2.42
Rot. Bonds4

About N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine

N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine (PubChem CID 12708049) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine
PubChem CID12708049
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H28N2O2S/c1-10(2,3)9-12(7,8)14-17(15,16)13-11(4,5)6/h13-14H,9H2,1-8H3
InChIKeyDXMOEDUZLMCOCV-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-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 N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine (CID 12708049) is N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine is CC(C)(C)CC(C)(C)NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine?
The InChIKey is DXMOEDUZLMCOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-10(2,3)9-12(7,8)14-17(15,16)13-11(4,5)6/h13-14H,9H2,1-8H3.
What are the key properties of N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine?
N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine has a molecular weight of 264.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 12708049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).