methyl 4-(methylamino)thiolane-3-carboxylate

C7H13NO2S — CID 83846303

IUPACmethyl 4-(methylamino)thiolane-3-carboxylate
SMILESCNC1CSCC1C(=O)OC
InChIInChI=1S/C7H13NO2S/c1-8-6-4-11-3-5(6)7(9)10-2/h5-6,8H,3-4H2,1-2H3
InChIKeyALFUTEBPRGIXDE-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.11
Rot. Bonds2

About methyl 4-(methylamino)thiolane-3-carboxylate

methyl 4-(methylamino)thiolane-3-carboxylate (PubChem CID 83846303) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is methyl 4-(methylamino)thiolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methylamino)thiolane-3-carboxylate
PubChem CID83846303
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Namemethyl 4-(methylamino)thiolane-3-carboxylate
SMILESCNC1CSCC1C(=O)OC
InChIInChI=1S/C7H13NO2S/c1-8-6-4-11-3-5(6)7(9)10-2/h5-6,8H,3-4H2,1-2H3
InChIKeyALFUTEBPRGIXDE-UHFFFAOYSA-N
XLogP0.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(cyclopropylamino)thiolane-3-carboxylate
CID 83848095
3-N,4-N-dimethylthiolane-3,4-diamine
CID 170597247
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl 4-(methylamino)oxane-3-carboxylate
CID 83846285
cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
CID 14489527
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
ethane;methyl 3-(methylamino)piperidine-4-carboxylate
CID 91482609
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
methyl 1,4-dithiepane-6-carboxylate
CID 71745910
methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate
CID 112710580

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)thiolane-3-carboxylate?
The IUPAC name of methyl 4-(methylamino)thiolane-3-carboxylate (CID 83846303) is methyl 4-(methylamino)thiolane-3-carboxylate.
What is the SMILES notation for methyl 4-(methylamino)thiolane-3-carboxylate?
The canonical SMILES for methyl 4-(methylamino)thiolane-3-carboxylate is CNC1CSCC1C(=O)OC.
What is the InChIKey of methyl 4-(methylamino)thiolane-3-carboxylate?
The InChIKey is ALFUTEBPRGIXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-8-6-4-11-3-5(6)7(9)10-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of methyl 4-(methylamino)thiolane-3-carboxylate?
methyl 4-(methylamino)thiolane-3-carboxylate has a molecular weight of 175.25 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)thiolane-3-carboxylate is sourced from PubChem (CID 83846303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).