1-cyano-N-propan-2-ylethenesulfonamide

C6H10N2O2S — CID 130380775

IUPAC1-cyano-N-propan-2-ylethenesulfonamide
SMILESC=C(C#N)S(=O)(=O)NC(C)C
InChIInChI=1S/C6H10N2O2S/c1-5(2)8-11(9,10)6(3)4-7/h5,8H,3H2,1-2H3
InChIKeyQISPMJUGZNLWIS-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.35
Rot. Bonds3

About 1-cyano-N-propan-2-ylethenesulfonamide

1-cyano-N-propan-2-ylethenesulfonamide (PubChem CID 130380775) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-cyano-N-propan-2-ylethenesulfonamide.

Molecular Properties

Compound Name1-cyano-N-propan-2-ylethenesulfonamide
PubChem CID130380775
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name1-cyano-N-propan-2-ylethenesulfonamide
SMILESC=C(C#N)S(=O)(=O)NC(C)C
InChIInChI=1S/C6H10N2O2S/c1-5(2)8-11(9,10)6(3)4-7/h5,8H,3H2,1-2H3
InChIKeyQISPMJUGZNLWIS-UHFFFAOYSA-N
XLogP0.35
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-propan-2-ylethenesulfonamide?
The IUPAC name of 1-cyano-N-propan-2-ylethenesulfonamide (CID 130380775) is 1-cyano-N-propan-2-ylethenesulfonamide.
What is the SMILES notation for 1-cyano-N-propan-2-ylethenesulfonamide?
The canonical SMILES for 1-cyano-N-propan-2-ylethenesulfonamide is C=C(C#N)S(=O)(=O)NC(C)C.
What is the InChIKey of 1-cyano-N-propan-2-ylethenesulfonamide?
The InChIKey is QISPMJUGZNLWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-5(2)8-11(9,10)6(3)4-7/h5,8H,3H2,1-2H3.
What are the key properties of 1-cyano-N-propan-2-ylethenesulfonamide?
1-cyano-N-propan-2-ylethenesulfonamide has a molecular weight of 174.22 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-propan-2-ylethenesulfonamide is sourced from PubChem (CID 130380775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).