sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide

C3H6NNaO4S2 — CID 88779845

IUPACsodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide
SMILESCN(C=O)COS(=O)([O-])=S.[Na+]
InChIInChI=1S/C3H7NO4S2.Na/c1-4(2-5)3-8-10(6,7)9;/h2H,3H2,1H3,(H,6,7,9);/q;+1/p-1
InChIKeyFEYAKPRELKGRHI-UHFFFAOYSA-M
MW207.21 g/mol
LogP-4.16
Rot. Bonds4

About sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide

sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide (PubChem CID 88779845) has the molecular formula C3H6NNaO4S2 and a molecular weight of 207.21 g/mol. Its IUPAC name is sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide.

Molecular Properties

Compound Namesodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide
PubChem CID88779845
Molecular FormulaC3H6NNaO4S2
Molecular Weight207.21 g/mol
Exact Mass206.96
IUPAC Namesodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide
SMILESCN(C=O)COS(=O)([O-])=S.[Na+]
InChIInChI=1S/C3H7NO4S2.Na/c1-4(2-5)3-8-10(6,7)9;/h2H,3H2,1H3,(H,6,7,9);/q;+1/p-1
InChIKeyFEYAKPRELKGRHI-UHFFFAOYSA-M
XLogP-4.16
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 5-4.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(hydroperoxymethyl)-N-methylformamide
CID 102152453
sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane
CID 174270371
N-methyl-N-(propan-2-yloxymethyl)formamide
CID 119098293
sodium 3-chloropropoxy-oxido-oxo-sulfanylidene-λ6-sulfane
CID 88653754
cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane
CID 86740778
sodium oxido-oxo-[(Z)-prop-1-enoxy]-sulfanylidene-λ6-sulfane
CID 175640044
N-methyl-N-(2-sulfanylethyl)formamide
CID 139923648
sodium oxido-oxo-(2-pentylsulfonylethoxy)-sulfanylidene-λ6-sulfane
CID 142757294
N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide
CID 15749122
N-(aminomethyl)-N-methylformamide
CID 57084326
N-ethyl-N-methylformamide;propane
CID 144948396
sodium;dioxido-oxo-sulfanylidene-λ6-sulfane;ethylmercury(1+)
CID 173390375

Frequently Asked Questions

What is the IUPAC name of sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide?
The IUPAC name of sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide (CID 88779845) is sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide.
What is the SMILES notation for sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide?
The canonical SMILES for sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide is CN(C=O)COS(=O)([O-])=S.[Na+].
What is the InChIKey of sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide?
The InChIKey is FEYAKPRELKGRHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO4S2.Na/c1-4(2-5)3-8-10(6,7)9;/h2H,3H2,1H3,(H,6,7,9);/q;+1/p-1.
What are the key properties of sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide?
sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide has a molecular weight of 207.21 g/mol, XLogP of -4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide is sourced from PubChem (CID 88779845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).