2-cyano-N-methylpropane-2-sulfonamide

C5H10N2O2S — CID 118172771

IUPAC2-cyano-N-methylpropane-2-sulfonamide
SMILESCNS(=O)(=O)C(C)(C)C#N
InChIInChI=1S/C5H10N2O2S/c1-5(2,4-6)10(8,9)7-3/h7H,1-3H3
InChIKeyGDYOWPAHZMIGNR-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.16
Rot. Bonds2

About 2-cyano-N-methylpropane-2-sulfonamide

2-cyano-N-methylpropane-2-sulfonamide (PubChem CID 118172771) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-cyano-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-methylpropane-2-sulfonamide
PubChem CID118172771
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name2-cyano-N-methylpropane-2-sulfonamide
SMILESCNS(=O)(=O)C(C)(C)C#N
InChIInChI=1S/C5H10N2O2S/c1-5(2,4-6)10(8,9)7-3/h7H,1-3H3
InChIKeyGDYOWPAHZMIGNR-UHFFFAOYSA-N
XLogP-0.16
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methylpropane-2-sulfonamide?
The IUPAC name of 2-cyano-N-methylpropane-2-sulfonamide (CID 118172771) is 2-cyano-N-methylpropane-2-sulfonamide.
What is the SMILES notation for 2-cyano-N-methylpropane-2-sulfonamide?
The canonical SMILES for 2-cyano-N-methylpropane-2-sulfonamide is CNS(=O)(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N-methylpropane-2-sulfonamide?
The InChIKey is GDYOWPAHZMIGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-5(2,4-6)10(8,9)7-3/h7H,1-3H3.
What are the key properties of 2-cyano-N-methylpropane-2-sulfonamide?
2-cyano-N-methylpropane-2-sulfonamide has a molecular weight of 162.21 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 118172771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).