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

C10H23NO3S — CID 66178797

IUPACN-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C10H23NO3S/c1-5-6-15(13,14)11-8-10(4,12)7-9(2)3/h9,11-12H,5-8H2,1-4H3
InChIKeyDWQMXXBUCCYGTQ-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.11
Rot. Bonds7

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

N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide (PubChem CID 66178797) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
PubChem CID66178797
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C10H23NO3S/c1-5-6-15(13,14)11-8-10(4,12)7-9(2)3/h9,11-12H,5-8H2,1-4H3
InChIKeyDWQMXXBUCCYGTQ-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide
CID 66180381
N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbutane-1-sulfonamide
CID 66178801
3-chloro-N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
CID 66171876
1-(cyclopropylsulfamoylamino)-2,4-dimethylpentan-2-ol
CID 114809675
N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide
CID 103835338
N-(2,2-dimethylbutyl)propane-1-sulfonamide
CID 103465142
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butane-1-sulfonamide
CID 90523075
3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide
CID 106295329
N-(2-hydroxy-2,4-dimethylpentyl)formamide
CID 66180858
N-(2-hydroxy-2,4-dimethylpentyl)-2-propylpentanamide
CID 82986949
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352
N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide
CID 56794319

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide (CID 66178797) is N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide?
The InChIKey is DWQMXXBUCCYGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-5-6-15(13,14)11-8-10(4,12)7-9(2)3/h9,11-12H,5-8H2,1-4H3.
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide?
N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.11, 7 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)propane-1-sulfonamide is sourced from PubChem (CID 66178797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).