N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide

C9H18N2O3S — CID 79589740

IUPACN-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide
SMILESCC(C)CN(CCC#N)S(=O)(=O)CCO
InChIInChI=1S/C9H18N2O3S/c1-9(2)8-11(5-3-4-10)15(13,14)7-6-12/h9,12H,3,5-8H2,1-2H3
InChIKeyNHDIOVSBYIVXMF-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.18
Rot. Bonds7

About N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide

N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide (PubChem CID 79589740) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide
PubChem CID79589740
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide
SMILESCC(C)CN(CCC#N)S(=O)(=O)CCO
InChIInChI=1S/C9H18N2O3S/c1-9(2)8-11(5-3-4-10)15(13,14)7-6-12/h9,12H,3,5-8H2,1-2H3
InChIKeyNHDIOVSBYIVXMF-UHFFFAOYSA-N
XLogP0.18
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide (CID 79589740) is N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide is CC(C)CN(CCC#N)S(=O)(=O)CCO.
What is the InChIKey of N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide?
The InChIKey is NHDIOVSBYIVXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-9(2)8-11(5-3-4-10)15(13,14)7-6-12/h9,12H,3,5-8H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide?
N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide has a molecular weight of 234.32 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide is sourced from PubChem (CID 79589740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).