1-carbamoyloxy-1-sulfosulfanylethane

C3H7NO5S2 — CID 87199251

IUPAC1-carbamoyloxy-1-sulfosulfanylethane
SMILESCC(OC(N)=O)SS(=O)(=O)O
InChIInChI=1S/C3H7NO5S2/c1-2(9-3(4)5)10-11(6,7)8/h2H,1H3,(H2,4,5)(H,6,7,8)
InChIKeyZKEHVEJIIPAANP-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.04
Rot. Bonds3

About 1-carbamoyloxy-1-sulfosulfanylethane

1-carbamoyloxy-1-sulfosulfanylethane (PubChem CID 87199251) has the molecular formula C3H7NO5S2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-carbamoyloxy-1-sulfosulfanylethane.

Molecular Properties

Compound Name1-carbamoyloxy-1-sulfosulfanylethane
PubChem CID87199251
Molecular FormulaC3H7NO5S2
Molecular Weight201.22 g/mol
Exact Mass200.98
IUPAC Name1-carbamoyloxy-1-sulfosulfanylethane
SMILESCC(OC(N)=O)SS(=O)(=O)O
InChIInChI=1S/C3H7NO5S2/c1-2(9-3(4)5)10-11(6,7)8/h2H,1H3,(H2,4,5)(H,6,7,8)
InChIKeyZKEHVEJIIPAANP-UHFFFAOYSA-N
XLogP-0.04
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1-carbamoyloxy-1-sulfosulfanylethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbamoyloxyethanesulfonic acid
CID 174745548
silver;propan-2-amine;propan-2-yl carbamate
CID 172719608
azane;propan-2-yl carbamate
CID 172769477
(1-fluoro-1-oxopropan-2-yl) carbamate
CID 118471736
3-hydroxybutan-2-yl carbamate
CID 20700654
[(2R)-1-chloro-3-methyl-1-oxobutan-2-yl] carbamate
CID 175483602
4-methylsulfonylbutan-2-yl carbamate
CID 175546950
1-(2-methylphenyl)sulfanylethyl carbamate
CID 70554819
3-methoxybutan-2-yl carbamate
CID 88788189
(3-carbamoyloxy-4-methylpentan-2-yl) carbamate
CID 140688379
[amino(carbamoyloxy)methyl] carbamate
CID 87689062
hydroxysilane;sulfo carbamate
CID 174435108

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyloxy-1-sulfosulfanylethane?
The IUPAC name of 1-carbamoyloxy-1-sulfosulfanylethane (CID 87199251) is 1-carbamoyloxy-1-sulfosulfanylethane.
What is the SMILES notation for 1-carbamoyloxy-1-sulfosulfanylethane?
The canonical SMILES for 1-carbamoyloxy-1-sulfosulfanylethane is CC(OC(N)=O)SS(=O)(=O)O.
What is the InChIKey of 1-carbamoyloxy-1-sulfosulfanylethane?
The InChIKey is ZKEHVEJIIPAANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO5S2/c1-2(9-3(4)5)10-11(6,7)8/h2H,1H3,(H2,4,5)(H,6,7,8).
What are the key properties of 1-carbamoyloxy-1-sulfosulfanylethane?
1-carbamoyloxy-1-sulfosulfanylethane has a molecular weight of 201.22 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyloxy-1-sulfosulfanylethane is sourced from PubChem (CID 87199251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).