prop-2-ene-1-sulfonamide

C3H7NO2S — CID 14028213

IUPACprop-2-ene-1-sulfonamide
SMILESC=CCS(N)(=O)=O
InChIInChI=1S/C3H7NO2S/c1-2-3-7(4,5)6/h2H,1,3H2,(H2,4,5,6)
InChIKeyUNYWISZSMFIKJI-UHFFFAOYSA-N
MW121.16 g/mol
LogP-0.54
Rot. Bonds2

About prop-2-ene-1-sulfonamide

prop-2-ene-1-sulfonamide (PubChem CID 14028213) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is prop-2-ene-1-sulfonamide.

Molecular Properties

Compound Nameprop-2-ene-1-sulfonamide
PubChem CID14028213
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Nameprop-2-ene-1-sulfonamide
SMILESC=CCS(N)(=O)=O
InChIInChI=1S/C3H7NO2S/c1-2-3-7(4,5)6/h2H,1,3H2,(H2,4,5,6)
InChIKeyUNYWISZSMFIKJI-UHFFFAOYSA-N
XLogP-0.54
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Sodium 2-propene-1-sulfonate
CID 23690996
Prop-2-ene-1-sulfonyl chloride
CID 534496
But-3-ene-1-sulfonamide
CID 11434976
2-Propene-1-sulfonic acid, ion(1-)
CID 4447605
Prop-2-ene-1-sulfinate
CID 4385537
1,3-Butadiene sulfonamide
CID 20701452
Prop-2-ene-1-sulfonyl bromide
CID 21400636
(E)-prop-1-ene-1-sulfonamide
CID 22750950
Sulfonamido-allene
CID 54465423
Propenylsulfonamide
CID 57179768
S-allylthionamide
CID 85625442
Ammonium prop-2-enesulphonate
CID 3014573

Frequently Asked Questions

What is the IUPAC name of prop-2-ene-1-sulfonamide?
The IUPAC name of prop-2-ene-1-sulfonamide (CID 14028213) is prop-2-ene-1-sulfonamide.
What is the SMILES notation for prop-2-ene-1-sulfonamide?
The canonical SMILES for prop-2-ene-1-sulfonamide is C=CCS(N)(=O)=O.
What is the InChIKey of prop-2-ene-1-sulfonamide?
The InChIKey is UNYWISZSMFIKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S/c1-2-3-7(4,5)6/h2H,1,3H2,(H2,4,5,6).
What are the key properties of prop-2-ene-1-sulfonamide?
prop-2-ene-1-sulfonamide has a molecular weight of 121.16 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ene-1-sulfonamide is sourced from PubChem (CID 14028213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).