1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide

C8H15NO4S2 — CID 62734059

IUPAC1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide
SMILESC=CCNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15NO4S2/c1-2-5-9-15(12,13)8-3-6-14(10,11)7-4-8/h2,8-9H,1,3-7H2
InChIKeySEMAGIPDOYJNAY-UHFFFAOYSA-N
MW253.34 g/mol
LogP-0.33
Rot. Bonds4

About 1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide

1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide (PubChem CID 62734059) has the molecular formula C8H15NO4S2 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide
PubChem CID62734059
Molecular FormulaC8H15NO4S2
Molecular Weight253.34 g/mol
Exact Mass253.04
IUPAC Name1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide
SMILESC=CCNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15NO4S2/c1-2-5-9-15(12,13)8-3-6-14(10,11)7-4-8/h2,8-9H,1,3-7H2
InChIKeySEMAGIPDOYJNAY-UHFFFAOYSA-N
XLogP-0.33
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 5-0.33
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-enylthiane-4-sulfonamide?
The IUPAC name of 1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide (CID 62734059) is 1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide is C=CCNS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of 1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide?
The InChIKey is SEMAGIPDOYJNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S2/c1-2-5-9-15(12,13)8-3-6-14(10,11)7-4-8/h2,8-9H,1,3-7H2.
What are the key properties of 1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide?
1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide has a molecular weight of 253.34 g/mol, XLogP of -0.33, 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-enylthiane-4-sulfonamide is sourced from PubChem (CID 62734059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).