carbamoyloxymethanesulfinic acid

C2H5NO4S — CID 174491498

IUPACcarbamoyloxymethanesulfinic acid
SMILESNC(=O)OCS(=O)O
InChIInChI=1S/C2H5NO4S/c3-2(4)7-1-8(5)6/h1H2,(H2,3,4)(H,5,6)
InChIKeyUGQCEAXONNHNRM-UHFFFAOYSA-N
MW139.13 g/mol
LogP-0.74
Rot. Bonds2

About carbamoyloxymethanesulfinic acid

carbamoyloxymethanesulfinic acid (PubChem CID 174491498) has the molecular formula C2H5NO4S and a molecular weight of 139.13 g/mol. Its IUPAC name is carbamoyloxymethanesulfinic acid.

Molecular Properties

Compound Namecarbamoyloxymethanesulfinic acid
PubChem CID174491498
Molecular FormulaC2H5NO4S
Molecular Weight139.13 g/mol
Exact Mass138.99
IUPAC Namecarbamoyloxymethanesulfinic acid
SMILESNC(=O)OCS(=O)O
InChIInChI=1S/C2H5NO4S/c3-2(4)7-1-8(5)6/h1H2,(H2,3,4)(H,5,6)
InChIKeyUGQCEAXONNHNRM-UHFFFAOYSA-N
XLogP-0.74
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxymethanesulfinic acid
CID 57208749
propyl carbamate;dihydrochloride
CID 87576214
3-phenylpropanoyloxymethanesulfinic acid
CID 174593913
ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
ethyl carbamate;platinum
CID 174699937
9-carbamoyloxynonyl carbamate
CID 87883969
methylsulfonyloxymethanesulfinic acid
CID 19968884
ruthenium;urea
CID 161030938
ethyl carbamate;oxotitanium
CID 174887508
CID 173388727
CID 173388727

Frequently Asked Questions

What is the IUPAC name of carbamoyloxymethanesulfinic acid?
The IUPAC name of carbamoyloxymethanesulfinic acid (CID 174491498) is carbamoyloxymethanesulfinic acid.
What is the SMILES notation for carbamoyloxymethanesulfinic acid?
The canonical SMILES for carbamoyloxymethanesulfinic acid is NC(=O)OCS(=O)O.
What is the InChIKey of carbamoyloxymethanesulfinic acid?
The InChIKey is UGQCEAXONNHNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO4S/c3-2(4)7-1-8(5)6/h1H2,(H2,3,4)(H,5,6).
What are the key properties of carbamoyloxymethanesulfinic acid?
carbamoyloxymethanesulfinic acid has a molecular weight of 139.13 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyloxymethanesulfinic acid is sourced from PubChem (CID 174491498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).