ethyl N-(thiolan-3-ylmethyl)carbamate

C8H15NO2S — CID 107298419

IUPACethyl N-(thiolan-3-ylmethyl)carbamate
SMILESCCOC(=O)NCC1CCSC1
InChIInChI=1S/C8H15NO2S/c1-2-11-8(10)9-5-7-3-4-12-6-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyNCDAMPXAQDAFHL-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.49
Rot. Bonds3

About ethyl N-(thiolan-3-ylmethyl)carbamate

ethyl N-(thiolan-3-ylmethyl)carbamate (PubChem CID 107298419) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is ethyl N-(thiolan-3-ylmethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(thiolan-3-ylmethyl)carbamate
PubChem CID107298419
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Nameethyl N-(thiolan-3-ylmethyl)carbamate
SMILESCCOC(=O)NCC1CCSC1
InChIInChI=1S/C8H15NO2S/c1-2-11-8(10)9-5-7-3-4-12-6-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyNCDAMPXAQDAFHL-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(thiolan-3-ylmethyl)carbamate?
The IUPAC name of ethyl N-(thiolan-3-ylmethyl)carbamate (CID 107298419) is ethyl N-(thiolan-3-ylmethyl)carbamate.
What is the SMILES notation for ethyl N-(thiolan-3-ylmethyl)carbamate?
The canonical SMILES for ethyl N-(thiolan-3-ylmethyl)carbamate is CCOC(=O)NCC1CCSC1.
What is the InChIKey of ethyl N-(thiolan-3-ylmethyl)carbamate?
The InChIKey is NCDAMPXAQDAFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-2-11-8(10)9-5-7-3-4-12-6-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of ethyl N-(thiolan-3-ylmethyl)carbamate?
ethyl N-(thiolan-3-ylmethyl)carbamate has a molecular weight of 189.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(thiolan-3-ylmethyl)carbamate is sourced from PubChem (CID 107298419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).