1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide

C7H13NO4S2 — CID 3712714

IUPAC1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide
SMILESC=CCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO4S2/c1-2-4-8-14(11,12)7-3-5-13(9,10)6-7/h2,7-8H,1,3-6H2
InChIKeyLQRXDRFPMGEPQP-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.72
Rot. Bonds4

About 1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide

1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide (PubChem CID 3712714) has the molecular formula C7H13NO4S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide
PubChem CID3712714
Molecular FormulaC7H13NO4S2
Molecular Weight239.32 g/mol
Exact Mass239.03
IUPAC Name1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide
SMILESC=CCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO4S2/c1-2-4-8-14(11,12)7-3-5-13(9,10)6-7/h2,7-8H,1,3-6H2
InChIKeyLQRXDRFPMGEPQP-UHFFFAOYSA-N
XLogP-0.72
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide?
The IUPAC name of 1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide (CID 3712714) is 1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide is C=CCNS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide?
The InChIKey is LQRXDRFPMGEPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S2/c1-2-4-8-14(11,12)7-3-5-13(9,10)6-7/h2,7-8H,1,3-6H2.
What are the key properties of 1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide?
1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide has a molecular weight of 239.32 g/mol, XLogP of -0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-prop-2-enylthiolane-3-sulfonamide is sourced from PubChem (CID 3712714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).