1-(methylamino)prop-2-ene-1-sulfonamide

C4H10N2O2S — CID 130382694

IUPAC1-(methylamino)prop-2-ene-1-sulfonamide
SMILESC=CC(NC)S(N)(=O)=O
InChIInChI=1S/C4H10N2O2S/c1-3-4(6-2)9(5,7)8/h3-4,6H,1H2,2H3,(H2,5,7,8)
InChIKeyDHLSDQUEPHQNSY-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.99
Rot. Bonds3

About 1-(methylamino)prop-2-ene-1-sulfonamide

1-(methylamino)prop-2-ene-1-sulfonamide (PubChem CID 130382694) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is 1-(methylamino)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound Name1-(methylamino)prop-2-ene-1-sulfonamide
PubChem CID130382694
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC Name1-(methylamino)prop-2-ene-1-sulfonamide
SMILESC=CC(NC)S(N)(=O)=O
InChIInChI=1S/C4H10N2O2S/c1-3-4(6-2)9(5,7)8/h3-4,6H,1H2,2H3,(H2,5,7,8)
InChIKeyDHLSDQUEPHQNSY-UHFFFAOYSA-N
XLogP-0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)prop-2-ene-1-sulfonamide?
The IUPAC name of 1-(methylamino)prop-2-ene-1-sulfonamide (CID 130382694) is 1-(methylamino)prop-2-ene-1-sulfonamide.
What is the SMILES notation for 1-(methylamino)prop-2-ene-1-sulfonamide?
The canonical SMILES for 1-(methylamino)prop-2-ene-1-sulfonamide is C=CC(NC)S(N)(=O)=O.
What is the InChIKey of 1-(methylamino)prop-2-ene-1-sulfonamide?
The InChIKey is DHLSDQUEPHQNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S/c1-3-4(6-2)9(5,7)8/h3-4,6H,1H2,2H3,(H2,5,7,8).
What are the key properties of 1-(methylamino)prop-2-ene-1-sulfonamide?
1-(methylamino)prop-2-ene-1-sulfonamide has a molecular weight of 150.20 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 130382694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).