methyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate

C6H14N2O2S2 — CID 89426114

IUPACmethyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate
SMILESCCNSSCCNC(=O)OC
InChIInChI=1S/C6H14N2O2S2/c1-3-8-12-11-5-4-7-6(9)10-2/h8H,3-5H2,1-2H3,(H,7,9)
InChIKeyFEDPCSVSDIVNCI-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.25
Rot. Bonds6

About methyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate

methyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate (PubChem CID 89426114) has the molecular formula C6H14N2O2S2 and a molecular weight of 210.32 g/mol. Its IUPAC name is methyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate
PubChem CID89426114
Molecular FormulaC6H14N2O2S2
Molecular Weight210.32 g/mol
Exact Mass210.05
IUPAC Namemethyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate
SMILESCCNSSCCNC(=O)OC
InChIInChI=1S/C6H14N2O2S2/c1-3-8-12-11-5-4-7-6(9)10-2/h8H,3-5H2,1-2H3,(H,7,9)
InChIKeyFEDPCSVSDIVNCI-UHFFFAOYSA-N
XLogP1.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate (CID 89426114) is methyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate is CCNSSCCNC(=O)OC.
What is the InChIKey of methyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate?
The InChIKey is FEDPCSVSDIVNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S2/c1-3-8-12-11-5-4-7-6(9)10-2/h8H,3-5H2,1-2H3,(H,7,9).
What are the key properties of methyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate?
methyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate has a molecular weight of 210.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(ethylaminodisulfanyl)ethyl]carbamate is sourced from PubChem (CID 89426114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).