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

C13H29NO3S — CID 113240024

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C13H29NO3S/c1-12(2,3)7-8-18(16,17)14-10-11(15)9-13(4,5)6/h11,14-15H,7-10H2,1-6H3
InChIKeyKPJYQUJBHYACOB-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.14
Rot. Bonds6

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

N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 113240024) has the molecular formula C13H29NO3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID113240024
Molecular FormulaC13H29NO3S
Molecular Weight279.45 g/mol
Exact Mass279.19
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C13H29NO3S/c1-12(2,3)7-8-18(16,17)14-10-11(15)9-13(4,5)6/h11,14-15H,7-10H2,1-6H3
InChIKeyKPJYQUJBHYACOB-UHFFFAOYSA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide
CID 56794319
N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113249315
4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid
CID 107151263
1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
CID 103850449
N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 103697673
N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide
CID 71848189
N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103829022
N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106286721
N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide
CID 113239541
2-(3,3-dimethylbutylsulfonylamino)acetamide
CID 103521045
4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide
CID 107150700
N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide
CID 107155364

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide (CID 113240024) is N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is KPJYQUJBHYACOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3S/c1-12(2,3)7-8-18(16,17)14-10-11(15)9-13(4,5)6/h11,14-15H,7-10H2,1-6H3.
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide?
N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 279.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 113240024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).