ethyl (sulfinylamino)sulfonylformate

C3H5NO5S2 — CID 135077568

IUPACethyl (sulfinylamino)sulfonylformate
SMILESCCOC(=O)S(=O)(=O)N=S=O
InChIInChI=1S/C3H5NO5S2/c1-2-9-3(5)11(7,8)4-10-6/h2H2,1H3
InChIKeyLPTBNDKHHRHIKN-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.13
Rot. Bonds2

About ethyl (sulfinylamino)sulfonylformate

ethyl (sulfinylamino)sulfonylformate (PubChem CID 135077568) has the molecular formula C3H5NO5S2 and a molecular weight of 199.21 g/mol. Its IUPAC name is ethyl (sulfinylamino)sulfonylformate.

Molecular Properties

Compound Nameethyl (sulfinylamino)sulfonylformate
PubChem CID135077568
Molecular FormulaC3H5NO5S2
Molecular Weight199.21 g/mol
Exact Mass198.96
IUPAC Nameethyl (sulfinylamino)sulfonylformate
SMILESCCOC(=O)S(=O)(=O)N=S=O
InChIInChI=1S/C3H5NO5S2/c1-2-9-3(5)11(7,8)4-10-6/h2H2,1H3
InChIKeyLPTBNDKHHRHIKN-UHFFFAOYSA-N
XLogP-0.13
TPSA89.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl methylsulfonylformate
CID 57252269
N-ethoxycarbonylethanesulfonimidic acid
CID 20718446
ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate
CID 12530393
O-ethylhydroxylamine;methanesulfonic acid
CID 172739815
ethyl (NE)-N-ethoxycarbonyliminocarbamate
CID 5462977
ethyl 2-methyl-4-methylsulfonylhepta-2,3-dienoate
CID 102496918
1-ethoxy-1-oxo-2-sulfosulfanylethane
CID 13308351
ethyl propanoate;methanesulfonic acid
CID 159764839
ethyl carbamate
CID 21202847
ethyl carbamate
CID 161409576
ethyl carbamate
CID 158786750
CID 175796855
CID 175796855

Frequently Asked Questions

What is the IUPAC name of ethyl (sulfinylamino)sulfonylformate?
The IUPAC name of ethyl (sulfinylamino)sulfonylformate (CID 135077568) is ethyl (sulfinylamino)sulfonylformate.
What is the SMILES notation for ethyl (sulfinylamino)sulfonylformate?
The canonical SMILES for ethyl (sulfinylamino)sulfonylformate is CCOC(=O)S(=O)(=O)N=S=O.
What is the InChIKey of ethyl (sulfinylamino)sulfonylformate?
The InChIKey is LPTBNDKHHRHIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO5S2/c1-2-9-3(5)11(7,8)4-10-6/h2H2,1H3.
What are the key properties of ethyl (sulfinylamino)sulfonylformate?
ethyl (sulfinylamino)sulfonylformate has a molecular weight of 199.21 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (sulfinylamino)sulfonylformate is sourced from PubChem (CID 135077568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).