1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide

C9H18N2O3S — CID 103850449

IUPAC1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
SMILESCC(C)(C)CC(O)CNS(=O)(=O)CC#N
InChIInChI=1S/C9H18N2O3S/c1-9(2,3)6-8(12)7-11-15(13,14)5-4-10/h8,11-12H,5-7H2,1-3H3
InChIKeyLLWOZXUCHRTRFT-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.23
Rot. Bonds5

About 1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide

1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide (PubChem CID 103850449) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
PubChem CID103850449
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
SMILESCC(C)(C)CC(O)CNS(=O)(=O)CC#N
InChIInChI=1S/C9H18N2O3S/c1-9(2,3)6-8(12)7-11-15(13,14)5-4-10/h8,11-12H,5-7H2,1-3H3
InChIKeyLLWOZXUCHRTRFT-UHFFFAOYSA-N
XLogP0.23
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide
CID 56794319
N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 113240024
N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113249315
N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 103697673
4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid
CID 107151263
2-[1-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]cyclopropyl]acetonitrile
CID 107152234
5-cyano-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbenzenesulfonamide
CID 103835529
[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane
CID 103835504
4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide
CID 107150700
N-(2-hydroxy-4,4-dimethylpentyl)-3,5-dimethylbenzenesulfonamide
CID 107155364
3,5-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 103835521
3-bromo-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 103835454

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide (CID 103850449) is 1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide is CC(C)(C)CC(O)CNS(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide?
The InChIKey is LLWOZXUCHRTRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-9(2,3)6-8(12)7-11-15(13,14)5-4-10/h8,11-12H,5-7H2,1-3H3.
What are the key properties of 1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide?
1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide has a molecular weight of 234.32 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide is sourced from PubChem (CID 103850449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).