methyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate

C10H18O2S — CID 23384150

IUPACmethyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(CCSC)CCCC1
InChIInChI=1S/C10H18O2S/c1-12-9(11)10(7-8-13-2)5-3-4-6-10/h3-8H2,1-2H3
InChIKeyQMDPLEHLDVNAQC-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.47
Rot. Bonds4

About methyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate

methyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate (PubChem CID 23384150) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is methyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate
PubChem CID23384150
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Namemethyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(CCSC)CCCC1
InChIInChI=1S/C10H18O2S/c1-12-9(11)10(7-8-13-2)5-3-4-6-10/h3-8H2,1-2H3
InChIKeyQMDPLEHLDVNAQC-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate (CID 23384150) is methyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate is COC(=O)C1(CCSC)CCCC1.
What is the InChIKey of methyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate?
The InChIKey is QMDPLEHLDVNAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-12-9(11)10(7-8-13-2)5-3-4-6-10/h3-8H2,1-2H3.
What are the key properties of methyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate?
methyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate has a molecular weight of 202.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 23384150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).