ethyl thiomorpholin-2-yl carbonate

C7H13NO3S — CID 70492337

IUPACethyl thiomorpholin-2-yl carbonate
SMILESCCOC(=O)OC1CNCCS1
InChIInChI=1S/C7H13NO3S/c1-2-10-7(9)11-6-5-8-3-4-12-6/h6,8H,2-5H2,1H3
InChIKeyKRVWCSYVJDLOCD-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.82
Rot. Bonds2

About ethyl thiomorpholin-2-yl carbonate

ethyl thiomorpholin-2-yl carbonate (PubChem CID 70492337) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is ethyl thiomorpholin-2-yl carbonate.

Molecular Properties

Compound Nameethyl thiomorpholin-2-yl carbonate
PubChem CID70492337
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Nameethyl thiomorpholin-2-yl carbonate
SMILESCCOC(=O)OC1CNCCS1
InChIInChI=1S/C7H13NO3S/c1-2-10-7(9)11-6-5-8-3-4-12-6/h6,8H,2-5H2,1H3
InChIKeyKRVWCSYVJDLOCD-UHFFFAOYSA-N
XLogP0.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate
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ethyl morpholine-2-carboxylate;dihydrochloride
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[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate
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carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine
CID 71405468
ethyl morpholin-3-yl carbonate
CID 70458711
[2,3-bis(trifluoromethylsulfonyl)cyclopropyl] ethyl carbonate
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Frequently Asked Questions

What is the IUPAC name of ethyl thiomorpholin-2-yl carbonate?
The IUPAC name of ethyl thiomorpholin-2-yl carbonate (CID 70492337) is ethyl thiomorpholin-2-yl carbonate.
What is the SMILES notation for ethyl thiomorpholin-2-yl carbonate?
The canonical SMILES for ethyl thiomorpholin-2-yl carbonate is CCOC(=O)OC1CNCCS1.
What is the InChIKey of ethyl thiomorpholin-2-yl carbonate?
The InChIKey is KRVWCSYVJDLOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-2-10-7(9)11-6-5-8-3-4-12-6/h6,8H,2-5H2,1H3.
What are the key properties of ethyl thiomorpholin-2-yl carbonate?
ethyl thiomorpholin-2-yl carbonate has a molecular weight of 191.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl thiomorpholin-2-yl carbonate is sourced from PubChem (CID 70492337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).