1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide

C9H18N2O4S — CID 106252817

IUPAC1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide
SMILESCOCCC(C)(O)CNS(=O)(=O)C(C)C#N
InChIInChI=1S/C9H18N2O4S/c1-8(6-10)16(13,14)11-7-9(2,12)4-5-15-3/h8,11-12H,4-5,7H2,1-3H3
InChIKeyHJJVUHFMSNNBHS-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.39
Rot. Bonds7

About 1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide

1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide (PubChem CID 106252817) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide
PubChem CID106252817
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide
SMILESCOCCC(C)(O)CNS(=O)(=O)C(C)C#N
InChIInChI=1S/C9H18N2O4S/c1-8(6-10)16(13,14)11-7-9(2,12)4-5-15-3/h8,11-12H,4-5,7H2,1-3H3
InChIKeyHJJVUHFMSNNBHS-UHFFFAOYSA-N
XLogP-0.39
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide
CID 103834963
1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide
CID 106245470
3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide
CID 106277324
1-(4-cyanophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide
CID 106252836
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide
CID 106249745
3-cyano-4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzenesulfonamide
CID 103835070
(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
CID 106254016
1-methoxy-3,5-dimethylheptan-3-ol
CID 65146816
3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid
CID 106252638
N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide
CID 103835023
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
2-amino-4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzenesulfonamide
CID 106249724

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide (CID 106252817) is 1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide is COCCC(C)(O)CNS(=O)(=O)C(C)C#N.
What is the InChIKey of 1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide?
The InChIKey is HJJVUHFMSNNBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-8(6-10)16(13,14)11-7-9(2,12)4-5-15-3/h8,11-12H,4-5,7H2,1-3H3.
What are the key properties of 1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide?
1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide has a molecular weight of 250.32 g/mol, XLogP of -0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide is sourced from PubChem (CID 106252817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).