propa-1,2-diene-1-sulfonamide

C3H5NO2S — CID 54465423

IUPACpropa-1,2-diene-1-sulfonamide
SMILESC=C=CS(N)(=O)=O
InChIInChI=1S/C3H5NO2S/c1-2-3-7(4,5)6/h3H,1H2,(H2,4,5,6)
InChIKeyLSAMGZFQTCBGBE-UHFFFAOYSA-N
MW119.14 g/mol
LogP-0.43
Rot. Bonds1

About propa-1,2-diene-1-sulfonamide

propa-1,2-diene-1-sulfonamide (PubChem CID 54465423) has the molecular formula C3H5NO2S and a molecular weight of 119.14 g/mol. Its IUPAC name is propa-1,2-diene-1-sulfonamide.

Molecular Properties

Compound Namepropa-1,2-diene-1-sulfonamide
PubChem CID54465423
Molecular FormulaC3H5NO2S
Molecular Weight119.14 g/mol
Exact Mass119.00
IUPAC Namepropa-1,2-diene-1-sulfonamide
SMILESC=C=CS(N)(=O)=O
InChIInChI=1S/C3H5NO2S/c1-2-3-7(4,5)6/h3H,1H2,(H2,4,5,6)
InChIKeyLSAMGZFQTCBGBE-UHFFFAOYSA-N
XLogP-0.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propa-1,2-diene-1-sulfonamide?
The IUPAC name of propa-1,2-diene-1-sulfonamide (CID 54465423) is propa-1,2-diene-1-sulfonamide.
What is the SMILES notation for propa-1,2-diene-1-sulfonamide?
The canonical SMILES for propa-1,2-diene-1-sulfonamide is C=C=CS(N)(=O)=O.
What is the InChIKey of propa-1,2-diene-1-sulfonamide?
The InChIKey is LSAMGZFQTCBGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2S/c1-2-3-7(4,5)6/h3H,1H2,(H2,4,5,6).
What are the key properties of propa-1,2-diene-1-sulfonamide?
propa-1,2-diene-1-sulfonamide has a molecular weight of 119.14 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propa-1,2-diene-1-sulfonamide is sourced from PubChem (CID 54465423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).