methyl 4-(cyclopropylamino)thiolane-3-carboxylate

C9H15NO2S — CID 83848095

IUPACmethyl 4-(cyclopropylamino)thiolane-3-carboxylate
SMILESCOC(=O)C1CSCC1NC1CC1
InChIInChI=1S/C9H15NO2S/c1-12-9(11)7-4-13-5-8(7)10-6-2-3-6/h6-8,10H,2-5H2,1H3
InChIKeyUYHHTGOSVJRHRB-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.64
Rot. Bonds3

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

methyl 4-(cyclopropylamino)thiolane-3-carboxylate (PubChem CID 83848095) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is methyl 4-(cyclopropylamino)thiolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclopropylamino)thiolane-3-carboxylate
PubChem CID83848095
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Namemethyl 4-(cyclopropylamino)thiolane-3-carboxylate
SMILESCOC(=O)C1CSCC1NC1CC1
InChIInChI=1S/C9H15NO2S/c1-12-9(11)7-4-13-5-8(7)10-6-2-3-6/h6-8,10H,2-5H2,1H3
InChIKeyUYHHTGOSVJRHRB-UHFFFAOYSA-N
XLogP0.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(methylamino)thiolane-3-carboxylate
CID 83846303
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
[4-(cyclopropylamino)thiolan-3-yl]methanol
CID 83871899
cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
CID 14489527
methyl (3R,5S)-5-methylthiomorpholine-3-carboxylate
CID 12858816
methyl bicyclo[2.2.2]octane-2-carboxylate
CID 159345583
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
methyl 2-acetamidocyclobutane-1-carboxylate
CID 163622472
methyl 1,4-dithiepane-6-carboxylate
CID 71745910
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopropylamino)thiolane-3-carboxylate?
The IUPAC name of methyl 4-(cyclopropylamino)thiolane-3-carboxylate (CID 83848095) is methyl 4-(cyclopropylamino)thiolane-3-carboxylate.
What is the SMILES notation for methyl 4-(cyclopropylamino)thiolane-3-carboxylate?
The canonical SMILES for methyl 4-(cyclopropylamino)thiolane-3-carboxylate is COC(=O)C1CSCC1NC1CC1.
What is the InChIKey of methyl 4-(cyclopropylamino)thiolane-3-carboxylate?
The InChIKey is UYHHTGOSVJRHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-12-9(11)7-4-13-5-8(7)10-6-2-3-6/h6-8,10H,2-5H2,1H3.
What are the key properties of methyl 4-(cyclopropylamino)thiolane-3-carboxylate?
methyl 4-(cyclopropylamino)thiolane-3-carboxylate has a molecular weight of 201.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopropylamino)thiolane-3-carboxylate is sourced from PubChem (CID 83848095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).