N-prop-2-enylsulfanylprop-2-ene-1-sulfonamide

C6H11NO2S2 — CID 87988353

IUPACN-prop-2-enylsulfanylprop-2-ene-1-sulfonamide
SMILESC=CCSNS(=O)(=O)CC=C
InChIInChI=1S/C6H11NO2S2/c1-3-5-10-7-11(8,9)6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyOWGSWZPBGNJHCV-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.93
Rot. Bonds6

About N-prop-2-enylsulfanylprop-2-ene-1-sulfonamide

N-prop-2-enylsulfanylprop-2-ene-1-sulfonamide (PubChem CID 87988353) has the molecular formula C6H11NO2S2 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-prop-2-enylsulfanylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-prop-2-enylsulfanylprop-2-ene-1-sulfonamide
PubChem CID87988353
Molecular FormulaC6H11NO2S2
Molecular Weight193.29 g/mol
Exact Mass193.02
IUPAC NameN-prop-2-enylsulfanylprop-2-ene-1-sulfonamide
SMILESC=CCSNS(=O)(=O)CC=C
InChIInChI=1S/C6H11NO2S2/c1-3-5-10-7-11(8,9)6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyOWGSWZPBGNJHCV-UHFFFAOYSA-N
XLogP0.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylsulfanylprop-2-ene-1-sulfonamide?
The IUPAC name of N-prop-2-enylsulfanylprop-2-ene-1-sulfonamide (CID 87988353) is N-prop-2-enylsulfanylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-prop-2-enylsulfanylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-prop-2-enylsulfanylprop-2-ene-1-sulfonamide is C=CCSNS(=O)(=O)CC=C.
What is the InChIKey of N-prop-2-enylsulfanylprop-2-ene-1-sulfonamide?
The InChIKey is OWGSWZPBGNJHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S2/c1-3-5-10-7-11(8,9)6-4-2/h3-4,7H,1-2,5-6H2.
What are the key properties of N-prop-2-enylsulfanylprop-2-ene-1-sulfonamide?
N-prop-2-enylsulfanylprop-2-ene-1-sulfonamide has a molecular weight of 193.29 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylsulfanylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 87988353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).