N-prop-1-en-2-ylsulfonylformamide

C4H7NO3S — CID 57252055

IUPACN-prop-1-en-2-ylsulfonylformamide
SMILESC=C(C)S(=O)(=O)NC=O
InChIInChI=1S/C4H7NO3S/c1-4(2)9(7,8)5-3-6/h3H,1H2,2H3,(H,5,6)
InChIKeyBSOMMXMEUIZVNF-UHFFFAOYSA-N
MW149.17 g/mol
LogP-0.40
Rot. Bonds3

About N-prop-1-en-2-ylsulfonylformamide

N-prop-1-en-2-ylsulfonylformamide (PubChem CID 57252055) has the molecular formula C4H7NO3S and a molecular weight of 149.17 g/mol. Its IUPAC name is N-prop-1-en-2-ylsulfonylformamide.

Molecular Properties

Compound NameN-prop-1-en-2-ylsulfonylformamide
PubChem CID57252055
Molecular FormulaC4H7NO3S
Molecular Weight149.17 g/mol
Exact Mass149.01
IUPAC NameN-prop-1-en-2-ylsulfonylformamide
SMILESC=C(C)S(=O)(=O)NC=O
InChIInChI=1S/C4H7NO3S/c1-4(2)9(7,8)5-3-6/h3H,1H2,2H3,(H,5,6)
InChIKeyBSOMMXMEUIZVNF-UHFFFAOYSA-N
XLogP-0.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-ylsulfonylformamide?
The IUPAC name of N-prop-1-en-2-ylsulfonylformamide (CID 57252055) is N-prop-1-en-2-ylsulfonylformamide.
What is the SMILES notation for N-prop-1-en-2-ylsulfonylformamide?
The canonical SMILES for N-prop-1-en-2-ylsulfonylformamide is C=C(C)S(=O)(=O)NC=O.
What is the InChIKey of N-prop-1-en-2-ylsulfonylformamide?
The InChIKey is BSOMMXMEUIZVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3S/c1-4(2)9(7,8)5-3-6/h3H,1H2,2H3,(H,5,6).
What are the key properties of N-prop-1-en-2-ylsulfonylformamide?
N-prop-1-en-2-ylsulfonylformamide has a molecular weight of 149.17 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-ylsulfonylformamide is sourced from PubChem (CID 57252055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).