N-methoxy-1,1-dioxothiolane-3-sulfonamide

C5H11NO5S2 — CID 64973833

IUPACN-methoxy-1,1-dioxothiolane-3-sulfonamide
SMILESCONS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO5S2/c1-11-6-13(9,10)5-2-3-12(7,8)4-5/h5-6H,2-4H2,1H3
InChIKeyOGRPROWLHUSXHU-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.35
Rot. Bonds3

About N-methoxy-1,1-dioxothiolane-3-sulfonamide

N-methoxy-1,1-dioxothiolane-3-sulfonamide (PubChem CID 64973833) has the molecular formula C5H11NO5S2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-methoxy-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-methoxy-1,1-dioxothiolane-3-sulfonamide
PubChem CID64973833
Molecular FormulaC5H11NO5S2
Molecular Weight229.28 g/mol
Exact Mass229.01
IUPAC NameN-methoxy-1,1-dioxothiolane-3-sulfonamide
SMILESCONS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO5S2/c1-11-6-13(9,10)5-2-3-12(7,8)4-5/h5-6H,2-4H2,1H3
InChIKeyOGRPROWLHUSXHU-UHFFFAOYSA-N
XLogP-1.35
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-methoxy-1,1-dioxothiolane-3-sulfonamide (CID 64973833) is N-methoxy-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-methoxy-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-methoxy-1,1-dioxothiolane-3-sulfonamide is CONS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-methoxy-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is OGRPROWLHUSXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5S2/c1-11-6-13(9,10)5-2-3-12(7,8)4-5/h5-6H,2-4H2,1H3.
What are the key properties of N-methoxy-1,1-dioxothiolane-3-sulfonamide?
N-methoxy-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 229.28 g/mol, XLogP of -1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 64973833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).