2-sulfanylethyl N-ethylcarbamate

C5H11NO2S — CID 121269364

IUPAC2-sulfanylethyl N-ethylcarbamate
SMILESCCNC(=O)OCCS
InChIInChI=1S/C5H11NO2S/c1-2-6-5(7)8-3-4-9/h9H,2-4H2,1H3,(H,6,7)
InChIKeyRQSUOEXAVBEUJD-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.66
Rot. Bonds3

About 2-sulfanylethyl N-ethylcarbamate

2-sulfanylethyl N-ethylcarbamate (PubChem CID 121269364) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 2-sulfanylethyl N-ethylcarbamate.

Molecular Properties

Compound Name2-sulfanylethyl N-ethylcarbamate
PubChem CID121269364
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name2-sulfanylethyl N-ethylcarbamate
SMILESCCNC(=O)OCCS
InChIInChI=1S/C5H11NO2S/c1-2-6-5(7)8-3-4-9/h9H,2-4H2,1H3,(H,6,7)
InChIKeyRQSUOEXAVBEUJD-UHFFFAOYSA-N
XLogP0.66
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Carbamic acid, ethyl-, ethyl ester
CID 12195
N-(tert-butoxycarbonyl)-2-aminoethanethiol
CID 3017761
Carbamic acid, N-(2-mercaptoethyl)-, ethyl ester, propylthiocarbonate (ester)
CID 58473
butyl N-(2-sulfanylethyl)carbamate
CID 20028969
methyl N-[2-(methylsulfanyl)ethyl]carbamate
CID 57939529
2-Methoxycarbonylaminoethanethiol
CID 12702081
Sulfonylethyl urethane
CID 19025318
1,2-bis(sulfanyl)ethyl N-[1,2-bis(sulfanyl)ethyl]carbamate
CID 57302175
2,2,2-trifluoroethyl N-(2-methylsulfanylethyl)carbamate
CID 62779853
ethyl N-(2-sulfanylethyl)carbamate;hydrochloride
CID 73557515
Propyl 2-(propoxycarbonylamino)ethylsulfanylformate
CID 312193
ethyl N-(2-sulfanylethyl)carbamate
CID 12142620

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylethyl N-ethylcarbamate?
The IUPAC name of 2-sulfanylethyl N-ethylcarbamate (CID 121269364) is 2-sulfanylethyl N-ethylcarbamate.
What is the SMILES notation for 2-sulfanylethyl N-ethylcarbamate?
The canonical SMILES for 2-sulfanylethyl N-ethylcarbamate is CCNC(=O)OCCS.
What is the InChIKey of 2-sulfanylethyl N-ethylcarbamate?
The InChIKey is RQSUOEXAVBEUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-2-6-5(7)8-3-4-9/h9H,2-4H2,1H3,(H,6,7).
What are the key properties of 2-sulfanylethyl N-ethylcarbamate?
2-sulfanylethyl N-ethylcarbamate has a molecular weight of 149.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylethyl N-ethylcarbamate is sourced from PubChem (CID 121269364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).