N-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide

C2H7NO4S2 — CID 56634009

IUPACN-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide
SMILESC=S(=O)(O)NS(C)(=O)=O
InChIInChI=1S/C2H7NO4S2/c1-8(4,5)3-9(2,6)7/h1H2,2H3,(H2,3,4,5)
InChIKeyIIMQVPWPOOFDFI-UHFFFAOYSA-N
MW173.21 g/mol
LogP-1.36
Rot. Bonds2

About N-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide

N-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide (PubChem CID 56634009) has the molecular formula C2H7NO4S2 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide.

Molecular Properties

Compound NameN-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide
PubChem CID56634009
Molecular FormulaC2H7NO4S2
Molecular Weight173.21 g/mol
Exact Mass172.98
IUPAC NameN-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide
SMILESC=S(=O)(O)NS(C)(=O)=O
InChIInChI=1S/C2H7NO4S2/c1-8(4,5)3-9(2,6)7/h1H2,2H3,(H2,3,4,5)
InChIKeyIIMQVPWPOOFDFI-UHFFFAOYSA-N
XLogP-1.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide?
The IUPAC name of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide (CID 56634009) is N-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide.
What is the SMILES notation for N-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide?
The canonical SMILES for N-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide is C=S(=O)(O)NS(C)(=O)=O.
What is the InChIKey of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide?
The InChIKey is IIMQVPWPOOFDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO4S2/c1-8(4,5)3-9(2,6)7/h1H2,2H3,(H2,3,4,5).
What are the key properties of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide?
N-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide has a molecular weight of 173.21 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxy-methylidene-oxo-λ6-sulfanyl)methanesulfonamide is sourced from PubChem (CID 56634009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).