1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide

C7H14N2O3S — CID 104868962

IUPAC1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)C(C)C#N
InChIInChI=1S/C7H14N2O3S/c1-3-7(5-10)9-13(11,12)6(2)4-8/h6-7,9-10H,3,5H2,1-2H3/t6?,7-/m1/s1
InChIKeyFOTXQIJTNFAWSF-COBSHVIPSA-N
MW206.27 g/mol
LogP-0.41
Rot. Bonds5

About 1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide

1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide (PubChem CID 104868962) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide
PubChem CID104868962
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)C(C)C#N
InChIInChI=1S/C7H14N2O3S/c1-3-7(5-10)9-13(11,12)6(2)4-8/h6-7,9-10H,3,5H2,1-2H3/t6?,7-/m1/s1
InChIKeyFOTXQIJTNFAWSF-COBSHVIPSA-N
XLogP-0.41
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxybutan-2-ylsulfamic acid
CID 150046835
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 103918485
N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 104981900
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 103918549
2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93084103
2-(dimethylsulfamoylamino)-1-hydroxybutane
CID 43501763
(2S,3R)-2-(1-cyanoethylsulfonylamino)-3-hydroxybutanoic acid
CID 104965148
N-(1-hydroxybutan-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842449
2-(propan-2-ylsulfamoylamino)butanenitrile
CID 114807678
N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide
CID 104981929
(2S)-2-(propylsulfamoylamino)butan-1-ol
CID 104981941
(2R)-2-(tert-butylsulfamoylamino)butan-1-ol
CID 104978099

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide?
The IUPAC name of 1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide (CID 104868962) is 1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide?
The canonical SMILES for 1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide is CC[C@H](CO)NS(=O)(=O)C(C)C#N.
What is the InChIKey of 1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide?
The InChIKey is FOTXQIJTNFAWSF-COBSHVIPSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-3-7(5-10)9-13(11,12)6(2)4-8/h6-7,9-10H,3,5H2,1-2H3/t6?,7-/m1/s1.
What are the key properties of 1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide?
1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide has a molecular weight of 206.27 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide is sourced from PubChem (CID 104868962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).