1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide

C8H16N2O3S2 — CID 106245470

IUPAC1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)C(C)C#N
InChIInChI=1S/C8H16N2O3S2/c1-7(4-9)15(12,13)10-5-8(2,11)6-14-3/h7,10-11H,5-6H2,1-3H3
InChIKeyIITNKEAMWPXTIQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP-0.07
Rot. Bonds6

About 1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide

1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide (PubChem CID 106245470) has the molecular formula C8H16N2O3S2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide
PubChem CID106245470
Molecular FormulaC8H16N2O3S2
Molecular Weight252.36 g/mol
Exact Mass252.06
IUPAC Name1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)C(C)C#N
InChIInChI=1S/C8H16N2O3S2/c1-7(4-9)15(12,13)10-5-8(2,11)6-14-3/h7,10-11H,5-6H2,1-3H3
InChIKeyIITNKEAMWPXTIQ-UHFFFAOYSA-N
XLogP-0.07
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methyl-3-(methylthio)propyl)-2-methylpropane-1-sulfonamide
CID 71787207
(S)-1-(isobutylsulfonylamino)-2-methyl-3-(methylthio)-2-propanol
CID 95984158
1-Amino-2-methyl-3-(2-methylsulfonylethylsulfanyl)propan-2-ol
CID 64814858
N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylethanesulfonamide
CID 65113340
1-cyano-N-(2-hydroxy-2-methylpropyl)propane-1-sulfonamide
CID 65570420
1-cyano-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 65570654
1-cyano-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
CID 65570655
1-cyano-N-(2-hydroxy-2-methylbutyl)ethanesulfonamide
CID 65570881
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)methanesulfonamide
CID 90523070
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)ethanesulfonamide
CID 90523071
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)cyclopropanesulfonamide
CID 90523072
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)propane-1-sulfonamide
CID 90523073

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide (CID 106245470) is 1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide is CSCC(C)(O)CNS(=O)(=O)C(C)C#N.
What is the InChIKey of 1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide?
The InChIKey is IITNKEAMWPXTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S2/c1-7(4-9)15(12,13)10-5-8(2,11)6-14-3/h7,10-11H,5-6H2,1-3H3.
What are the key properties of 1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide?
1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide has a molecular weight of 252.36 g/mol, XLogP of -0.07, 6 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-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide is sourced from PubChem (CID 106245470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).