N-methyl-1,1-dioxothiane-4-sulfonamide

C6H13NO4S2 — CID 62086013

IUPACN-methyl-1,1-dioxothiane-4-sulfonamide
SMILESCNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C6H13NO4S2/c1-7-13(10,11)6-2-4-12(8,9)5-3-6/h6-7H,2-5H2,1H3
InChIKeyYTNCUADOCDAROK-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.89
Rot. Bonds2

About N-methyl-1,1-dioxothiane-4-sulfonamide

N-methyl-1,1-dioxothiane-4-sulfonamide (PubChem CID 62086013) has the molecular formula C6H13NO4S2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-1,1-dioxothiane-4-sulfonamide
PubChem CID62086013
Molecular FormulaC6H13NO4S2
Molecular Weight227.31 g/mol
Exact Mass227.03
IUPAC NameN-methyl-1,1-dioxothiane-4-sulfonamide
SMILESCNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C6H13NO4S2/c1-7-13(10,11)6-2-4-12(8,9)5-3-6/h6-7H,2-5H2,1H3
InChIKeyYTNCUADOCDAROK-UHFFFAOYSA-N
XLogP-0.89
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.89
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-dioxothiane-4-sulfonamide?
The IUPAC name of N-methyl-1,1-dioxothiane-4-sulfonamide (CID 62086013) is N-methyl-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-methyl-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-methyl-1,1-dioxothiane-4-sulfonamide is CNS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-methyl-1,1-dioxothiane-4-sulfonamide?
The InChIKey is YTNCUADOCDAROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S2/c1-7-13(10,11)6-2-4-12(8,9)5-3-6/h6-7H,2-5H2,1H3.
What are the key properties of N-methyl-1,1-dioxothiane-4-sulfonamide?
N-methyl-1,1-dioxothiane-4-sulfonamide has a molecular weight of 227.31 g/mol, XLogP of -0.89, 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-dioxothiane-4-sulfonamide is sourced from PubChem (CID 62086013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).