2-cyano-2-methylpropane-1-sulfonamide

C5H10N2O2S — CID 71757989

IUPAC2-cyano-2-methylpropane-1-sulfonamide
SMILESCC(C)(C#N)CS(N)(=O)=O
InChIInChI=1S/C5H10N2O2S/c1-5(2,3-6)4-10(7,8)9/h4H2,1-2H3,(H2,7,8,9)
InChIKeyFYOWZIDNYBPKPT-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.18
Rot. Bonds2

About 2-cyano-2-methylpropane-1-sulfonamide

2-cyano-2-methylpropane-1-sulfonamide (PubChem CID 71757989) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-cyano-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-cyano-2-methylpropane-1-sulfonamide
PubChem CID71757989
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name2-cyano-2-methylpropane-1-sulfonamide
SMILESCC(C)(C#N)CS(N)(=O)=O
InChIInChI=1S/C5H10N2O2S/c1-5(2,3-6)4-10(7,8)9/h4H2,1-2H3,(H2,7,8,9)
InChIKeyFYOWZIDNYBPKPT-UHFFFAOYSA-N
XLogP-0.18
TPSA83.95 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 ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyanopropane-1-sulfonamide
CID 11557316
1-Cyanoethane-1-sulfonamide
CID 61695694
2-Cyano-2,2-dimethylethane-1-sulfonyl chloride
CID 71757988
(1-Cyanocyclopropyl)methanesulfonamide
CID 75450915
2-Cyano-2,2-dimethylethane-1-sulfonyl fluoride
CID 122235994
N-(2-cyanopropan-2-yl)ethanesulfonamide
CID 15324815
2-cyano-N-methylethanesulfonamide
CID 13418377
N-(2-cyanopropan-2-yl)propane-2-sulfonamide
CID 61126679
4-Cyanobutane-1-sulfonamide
CID 61521075
1-Cyanopropane-1-sulfonamide
CID 61698806
1-cyano-N-methylethanesulfonamide
CID 65568431
Sodium 2-cyano-2-methylpropane-1-sulfonate
CID 126688812

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methylpropane-1-sulfonamide?
The IUPAC name of 2-cyano-2-methylpropane-1-sulfonamide (CID 71757989) is 2-cyano-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 2-cyano-2-methylpropane-1-sulfonamide?
The canonical SMILES for 2-cyano-2-methylpropane-1-sulfonamide is CC(C)(C#N)CS(N)(=O)=O.
What is the InChIKey of 2-cyano-2-methylpropane-1-sulfonamide?
The InChIKey is FYOWZIDNYBPKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-5(2,3-6)4-10(7,8)9/h4H2,1-2H3,(H2,7,8,9).
What are the key properties of 2-cyano-2-methylpropane-1-sulfonamide?
2-cyano-2-methylpropane-1-sulfonamide has a molecular weight of 162.21 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 71757989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).