N-methyl-1,1-dioxothiolane-3-sulfonamide

C5H11NO4S2 — CID 2729427

IUPACN-methyl-1,1-dioxothiolane-3-sulfonamide
SMILESCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO4S2/c1-6-12(9,10)5-2-3-11(7,8)4-5/h5-6H,2-4H2,1H3
InChIKeyFTGXBHVAKXUVFB-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.28
Rot. Bonds2

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

N-methyl-1,1-dioxothiolane-3-sulfonamide (PubChem CID 2729427) has the molecular formula C5H11NO4S2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-methyl-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-1,1-dioxothiolane-3-sulfonamide
PubChem CID2729427
Molecular FormulaC5H11NO4S2
Molecular Weight213.28 g/mol
Exact Mass213.01
IUPAC NameN-methyl-1,1-dioxothiolane-3-sulfonamide
SMILESCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO4S2/c1-6-12(9,10)5-2-3-11(7,8)4-5/h5-6H,2-4H2,1H3
InChIKeyFTGXBHVAKXUVFB-UHFFFAOYSA-N
XLogP-1.28
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-methyl-1,1-dioxothiolane-3-sulfonamide (CID 2729427) is N-methyl-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-methyl-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-methyl-1,1-dioxothiolane-3-sulfonamide is CNS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is FTGXBHVAKXUVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S2/c1-6-12(9,10)5-2-3-11(7,8)4-5/h5-6H,2-4H2,1H3.
What are the key properties of N-methyl-1,1-dioxothiolane-3-sulfonamide?
N-methyl-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 213.28 g/mol, XLogP of -1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 2729427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).