N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide

C11H25NO3S — CID 66180381

IUPACN-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C11H25NO3S/c1-5-6-7-16(14,15)12-9-11(4,13)8-10(2)3/h10,12-13H,5-9H2,1-4H3
InChIKeyBFKSNKTVWYDSOZ-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.50
Rot. Bonds8

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

N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide (PubChem CID 66180381) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide
PubChem CID66180381
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C11H25NO3S/c1-5-6-7-16(14,15)12-9-11(4,13)8-10(2)3/h10,12-13H,5-9H2,1-4H3
InChIKeyBFKSNKTVWYDSOZ-UHFFFAOYSA-N
XLogP1.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide (CID 66180381) is N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide?
The InChIKey is BFKSNKTVWYDSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-6-7-16(14,15)12-9-11(4,13)8-10(2)3/h10,12-13H,5-9H2,1-4H3.
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide?
N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide has a molecular weight of 251.39 g/mol, XLogP of 1.50, 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)butane-1-sulfonamide is sourced from PubChem (CID 66180381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).