ethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate

C9H17NO2S — CID 79950237

IUPACethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate
SMILESCCOC(=O)C1(NC)CSC(C)C1
InChIInChI=1S/C9H17NO2S/c1-4-12-8(11)9(10-3)5-7(2)13-6-9/h7,10H,4-6H2,1-3H3
InChIKeyMRJBOSGGINCIOH-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.03
Rot. Bonds3

About ethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate

ethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate (PubChem CID 79950237) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is ethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate
PubChem CID79950237
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Nameethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate
SMILESCCOC(=O)C1(NC)CSC(C)C1
InChIInChI=1S/C9H17NO2S/c1-4-12-8(11)9(10-3)5-7(2)13-6-9/h7,10H,4-6H2,1-3H3
InChIKeyMRJBOSGGINCIOH-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-(cycloheptylamino)-5-methylthiolane-3-carboxylate
CID 79949178
ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate
CID 103563541
ethyl 3-(2,6-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79626926
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541
ethyl 1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxylate
CID 79634657
ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79654804
ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate
CID 64750726
ethyl 3-[bis(cyclopropylmethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79645182
ethyl 3-(2,4-dimethylphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carboxylate
CID 79645238
ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79649954
ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
CID 79648432
ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate
CID 79858913

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate?
The IUPAC name of ethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate (CID 79950237) is ethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate is CCOC(=O)C1(NC)CSC(C)C1.
What is the InChIKey of ethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate?
The InChIKey is MRJBOSGGINCIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-4-12-8(11)9(10-3)5-7(2)13-6-9/h7,10H,4-6H2,1-3H3.
What are the key properties of ethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate?
ethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate has a molecular weight of 203.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate is sourced from PubChem (CID 79950237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).