(carbamoyloxydisulfanyl) N-ethylcarbamate

C4H8N2O4S2 — CID 88639893

IUPAC(carbamoyloxydisulfanyl) N-ethylcarbamate
SMILESCCNC(=O)OSSOC(N)=O
InChIInChI=1S/C4H8N2O4S2/c1-2-6-4(8)10-12-11-9-3(5)7/h2H2,1H3,(H2,5,7)(H,6,8)
InChIKeyKFTRHXFAVXMNOB-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.04
Rot. Bonds4

About (carbamoyloxydisulfanyl) N-ethylcarbamate

(carbamoyloxydisulfanyl) N-ethylcarbamate (PubChem CID 88639893) has the molecular formula C4H8N2O4S2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (carbamoyloxydisulfanyl) N-ethylcarbamate.

Molecular Properties

Compound Name(carbamoyloxydisulfanyl) N-ethylcarbamate
PubChem CID88639893
Molecular FormulaC4H8N2O4S2
Molecular Weight212.25 g/mol
Exact Mass211.99
IUPAC Name(carbamoyloxydisulfanyl) N-ethylcarbamate
SMILESCCNC(=O)OSSOC(N)=O
InChIInChI=1S/C4H8N2O4S2/c1-2-6-4(8)10-12-11-9-3(5)7/h2H2,1H3,(H2,5,7)(H,6,8)
InChIKeyKFTRHXFAVXMNOB-UHFFFAOYSA-N
XLogP1.04
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze (carbamoyloxydisulfanyl) N-ethylcarbamate 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

azane;ethyl N-ethylcarbamate
CID 88547448
hydrazinyl N-ethylcarbamate
CID 54234991
(carbamoyloxytrisulfanyl) carbamate
CID 118197198
4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
CID 158264947
bis(ethylcarbamoyloxymethyl)boranylmethyl N-ethylcarbamate
CID 59950979
(2-amino-2-methylbutyl) N-ethylcarbamate
CID 79337657
[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
CID 58493133
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
[2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
CID 134452927
2,2,3,3-tetrafluoropropyl N-ethylcarbamate
CID 137320402
[2,2-dimethyl-3-(methylamino)propyl] N-ethylcarbamate
CID 87800616
[2-(carbamoyloxymethyl)-2-(methylcarbamoyloxymethyl)-3-(propan-2-ylcarbamoyloxy)propyl] N-ethylcarbamate
CID 145215020

Frequently Asked Questions

What is the IUPAC name of (carbamoyloxydisulfanyl) N-ethylcarbamate?
The IUPAC name of (carbamoyloxydisulfanyl) N-ethylcarbamate (CID 88639893) is (carbamoyloxydisulfanyl) N-ethylcarbamate.
What is the SMILES notation for (carbamoyloxydisulfanyl) N-ethylcarbamate?
The canonical SMILES for (carbamoyloxydisulfanyl) N-ethylcarbamate is CCNC(=O)OSSOC(N)=O.
What is the InChIKey of (carbamoyloxydisulfanyl) N-ethylcarbamate?
The InChIKey is KFTRHXFAVXMNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O4S2/c1-2-6-4(8)10-12-11-9-3(5)7/h2H2,1H3,(H2,5,7)(H,6,8).
What are the key properties of (carbamoyloxydisulfanyl) N-ethylcarbamate?
(carbamoyloxydisulfanyl) N-ethylcarbamate has a molecular weight of 212.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (carbamoyloxydisulfanyl) N-ethylcarbamate is sourced from PubChem (CID 88639893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).