prop-2-enylsulfonylformamide

C4H7NO3S — CID 87300563

IUPACprop-2-enylsulfonylformamide
SMILESC=CCS(=O)(=O)C(N)=O
InChIInChI=1S/C4H7NO3S/c1-2-3-9(7,8)4(5)6/h2H,1,3H2,(H2,5,6)
InChIKeyINUOCBRTCLWUAW-UHFFFAOYSA-N
MW149.17 g/mol
LogP-0.33
Rot. Bonds2

About prop-2-enylsulfonylformamide

prop-2-enylsulfonylformamide (PubChem CID 87300563) has the molecular formula C4H7NO3S and a molecular weight of 149.17 g/mol. Its IUPAC name is prop-2-enylsulfonylformamide.

Molecular Properties

Compound Nameprop-2-enylsulfonylformamide
PubChem CID87300563
Molecular FormulaC4H7NO3S
Molecular Weight149.17 g/mol
Exact Mass149.01
IUPAC Nameprop-2-enylsulfonylformamide
SMILESC=CCS(=O)(=O)C(N)=O
InChIInChI=1S/C4H7NO3S/c1-2-3-9(7,8)4(5)6/h2H,1,3H2,(H2,5,6)
InChIKeyINUOCBRTCLWUAW-UHFFFAOYSA-N
XLogP-0.33
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enamide;3-prop-2-enylsulfonylprop-1-ene
CID 89307077
2-diazo-1-prop-2-enylsulfonylethanone
CID 174471980
phosphane;prop-2-ene-1-sulfonic acid
CID 87475193
nickel;prop-2-ene-1-sulfonic acid
CID 87111330
trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
ethenol;prop-2-ene-1-sulfonic acid
CID 174528992
chloromethane;prop-2-ene-1-sulfonamide
CID 174937700
cesium;hydride;prop-2-ene-1-sulfonic acid
CID 173073935
sodium;2-methylidenepent-4-enamide;prop-2-ene-1-sulfonate
CID 175518990
sodium;prop-1-ene;prop-2-ene-1-sulfonic acid
CID 88807724
ethenesulfonic acid;prop-2-ene-1-sulfonic acid
CID 87136700
prop-2-enylsulfonyl prop-2-ene-1-sulfonate
CID 18671222

Frequently Asked Questions

What is the IUPAC name of prop-2-enylsulfonylformamide?
The IUPAC name of prop-2-enylsulfonylformamide (CID 87300563) is prop-2-enylsulfonylformamide.
What is the SMILES notation for prop-2-enylsulfonylformamide?
The canonical SMILES for prop-2-enylsulfonylformamide is C=CCS(=O)(=O)C(N)=O.
What is the InChIKey of prop-2-enylsulfonylformamide?
The InChIKey is INUOCBRTCLWUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3S/c1-2-3-9(7,8)4(5)6/h2H,1,3H2,(H2,5,6).
What are the key properties of prop-2-enylsulfonylformamide?
prop-2-enylsulfonylformamide has a molecular weight of 149.17 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylsulfonylformamide is sourced from PubChem (CID 87300563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).