N-sulfanylprop-2-ene-1-sulfonamide

C3H7NO2S2 — CID 88743886

IUPACN-sulfanylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NS
InChIInChI=1S/C3H7NO2S2/c1-2-3-8(5,6)4-7/h2,4,7H,1,3H2
InChIKeySBGQBPSXGYVJRX-UHFFFAOYSA-N
MW153.23 g/mol
LogP-0.06
Rot. Bonds3

About N-sulfanylprop-2-ene-1-sulfonamide

N-sulfanylprop-2-ene-1-sulfonamide (PubChem CID 88743886) has the molecular formula C3H7NO2S2 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-sulfanylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-sulfanylprop-2-ene-1-sulfonamide
PubChem CID88743886
Molecular FormulaC3H7NO2S2
Molecular Weight153.23 g/mol
Exact Mass152.99
IUPAC NameN-sulfanylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NS
InChIInChI=1S/C3H7NO2S2/c1-2-3-8(5,6)4-7/h2,4,7H,1,3H2
InChIKeySBGQBPSXGYVJRX-UHFFFAOYSA-N
XLogP-0.06
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Prop-2-ene-1-sulfonamide
CID 14028213
2-Propene-1-sulfonic acid, ion(1-)
CID 4447605
1,3-Butadiene sulfonamide
CID 20701452
(E)-prop-1-ene-1-sulfonamide
CID 22750950
Propenylsulfonamide
CID 57179768
S-allylthionamide
CID 85625442
Ammonium prop-2-enesulphonate
CID 3014573
1-Fluoroprop-2-ene-1-sulfonamide
CID 87334843
N-fluoroprop-2-ene-1-sulfonamide
CID 87784056
(Prop-2-enylsulfonylamino) hypofluorite
CID 88441314
3-Fluoroprop-2-ene-1-sulfonamide
CID 173059109
1,3-Difluoroprop-2-ene-1-sulfonamide
CID 175549224

Frequently Asked Questions

What is the IUPAC name of N-sulfanylprop-2-ene-1-sulfonamide?
The IUPAC name of N-sulfanylprop-2-ene-1-sulfonamide (CID 88743886) is N-sulfanylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-sulfanylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-sulfanylprop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NS.
What is the InChIKey of N-sulfanylprop-2-ene-1-sulfonamide?
The InChIKey is SBGQBPSXGYVJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S2/c1-2-3-8(5,6)4-7/h2,4,7H,1,3H2.
What are the key properties of N-sulfanylprop-2-ene-1-sulfonamide?
N-sulfanylprop-2-ene-1-sulfonamide has a molecular weight of 153.23 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfanylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 88743886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).