ethyl 3-(ethylamino)thiolane-3-carboxylate

C9H17NO2S — CID 60788380

IUPACethyl 3-(ethylamino)thiolane-3-carboxylate
SMILESCCNC1(C(=O)OCC)CCSC1
InChIInChI=1S/C9H17NO2S/c1-3-10-9(5-6-13-7-9)8(11)12-4-2/h10H,3-7H2,1-2H3
InChIKeyNQKZPUPUBYFPES-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.03
Rot. Bonds4

About ethyl 3-(ethylamino)thiolane-3-carboxylate

ethyl 3-(ethylamino)thiolane-3-carboxylate (PubChem CID 60788380) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is ethyl 3-(ethylamino)thiolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(ethylamino)thiolane-3-carboxylate
PubChem CID60788380
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Nameethyl 3-(ethylamino)thiolane-3-carboxylate
SMILESCCNC1(C(=O)OCC)CCSC1
InChIInChI=1S/C9H17NO2S/c1-3-10-9(5-6-13-7-9)8(11)12-4-2/h10H,3-7H2,1-2H3
InChIKeyNQKZPUPUBYFPES-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-bromoanilino)thiolane-3-carboxylate
CID 54890590
ethyl 3-(2-methoxyanilino)thiolane-3-carboxylate
CID 54890456
ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate
CID 64750726
ethyl 3-(3-methoxyanilino)thiolane-3-carboxylate
CID 54890596
ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
CID 79653865
ethyl 1-(ethylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79633705
ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate
CID 53399515
ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate
CID 115561553
ethyl 1-(ethylamino)-3-methylsulfanylcyclohexane-1-carboxylate
CID 79634825
3-(ethylamino)-4,4-dimethylthiane-3-carboxamide
CID 79947906
ethyl 3-(2-bromoanilino)thiane-3-carboxylate
CID 62873122
ethyl 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79635563

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethylamino)thiolane-3-carboxylate?
The IUPAC name of ethyl 3-(ethylamino)thiolane-3-carboxylate (CID 60788380) is ethyl 3-(ethylamino)thiolane-3-carboxylate.
What is the SMILES notation for ethyl 3-(ethylamino)thiolane-3-carboxylate?
The canonical SMILES for ethyl 3-(ethylamino)thiolane-3-carboxylate is CCNC1(C(=O)OCC)CCSC1.
What is the InChIKey of ethyl 3-(ethylamino)thiolane-3-carboxylate?
The InChIKey is NQKZPUPUBYFPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-10-9(5-6-13-7-9)8(11)12-4-2/h10H,3-7H2,1-2H3.
What are the key properties of ethyl 3-(ethylamino)thiolane-3-carboxylate?
ethyl 3-(ethylamino)thiolane-3-carboxylate has a molecular weight of 203.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethylamino)thiolane-3-carboxylate is sourced from PubChem (CID 60788380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).