methyl N-sulfinooxycarbamate

C2H5NO5S — CID 57298047

IUPACmethyl N-sulfinooxycarbamate
SMILESCOC(=O)NOS(=O)O
InChIInChI=1S/C2H5NO5S/c1-7-2(4)3-8-9(5)6/h1H3,(H,3,4)(H,5,6)
InChIKeyFYIKAQQTRCHVCW-UHFFFAOYSA-N
MW155.13 g/mol
LogP-0.59
Rot. Bonds2

About methyl N-sulfinooxycarbamate

methyl N-sulfinooxycarbamate (PubChem CID 57298047) has the molecular formula C2H5NO5S and a molecular weight of 155.13 g/mol. Its IUPAC name is methyl N-sulfinooxycarbamate.

Molecular Properties

Compound Namemethyl N-sulfinooxycarbamate
PubChem CID57298047
Molecular FormulaC2H5NO5S
Molecular Weight155.13 g/mol
Exact Mass154.99
IUPAC Namemethyl N-sulfinooxycarbamate
SMILESCOC(=O)NOS(=O)O
InChIInChI=1S/C2H5NO5S/c1-7-2(4)3-8-9(5)6/h1H3,(H,3,4)(H,5,6)
InChIKeyFYIKAQQTRCHVCW-UHFFFAOYSA-N
XLogP-0.59
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-sulfinooxycarbamate?
The IUPAC name of methyl N-sulfinooxycarbamate (CID 57298047) is methyl N-sulfinooxycarbamate.
What is the SMILES notation for methyl N-sulfinooxycarbamate?
The canonical SMILES for methyl N-sulfinooxycarbamate is COC(=O)NOS(=O)O.
What is the InChIKey of methyl N-sulfinooxycarbamate?
The InChIKey is FYIKAQQTRCHVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO5S/c1-7-2(4)3-8-9(5)6/h1H3,(H,3,4)(H,5,6).
What are the key properties of methyl N-sulfinooxycarbamate?
methyl N-sulfinooxycarbamate has a molecular weight of 155.13 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-sulfinooxycarbamate is sourced from PubChem (CID 57298047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).