N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide

C12H27NO3S — CID 66178801

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C12H27NO3S/c1-10(2)6-7-17(15,16)13-9-12(5,14)8-11(3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeyNUWYYSXGQKMLRI-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.75
Rot. Bonds8

About N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide

N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide (PubChem CID 66178801) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide
PubChem CID66178801
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C12H27NO3S/c1-10(2)6-7-17(15,16)13-9-12(5,14)8-11(3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeyNUWYYSXGQKMLRI-UHFFFAOYSA-N
XLogP1.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-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-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide (CID 66178801) is N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide?
The InChIKey is NUWYYSXGQKMLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-10(2)6-7-17(15,16)13-9-12(5,14)8-11(3)4/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide?
N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide has a molecular weight of 265.42 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 66178801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).