methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate

C12H18O3S — CID 107777664

IUPACmethyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCC(=O)C2CC2)CC1
InChIInChI=1S/C12H18O3S/c1-15-11(14)6-12(4-5-12)8-16-7-10(13)9-2-3-9/h9H,2-8H2,1H3
InChIKeyMIKMRXHXEVRQBB-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.04
Rot. Bonds7

About methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate

methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate (PubChem CID 107777664) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate
PubChem CID107777664
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Namemethyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCC(=O)C2CC2)CC1
InChIInChI=1S/C12H18O3S/c1-15-11(14)6-12(4-5-12)8-16-7-10(13)9-2-3-9/h9H,2-8H2,1H3
InChIKeyMIKMRXHXEVRQBB-UHFFFAOYSA-N
XLogP2.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetate
CID 107776041
methyl 2-[1-[[2-(cycloheptylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetate
CID 107775985
methyl 2-[1-(2-fluoroethylsulfanylmethyl)cyclopropyl]acetate
CID 107776396
methyl 2-[1-[(3-methyl-2-oxopentyl)sulfanylmethyl]cyclopropyl]acetate
CID 107777726
methyl 2-[1-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetate
CID 107776393
methyl 2-[1-(2-oxoethylsulfanylmethyl)cyclopropyl]acetate
CID 107777676
methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate
CID 107778479
methyl 2-[1-[(2-hydroxy-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetate
CID 107775920
methyl 2-[1-(3-methylbutylsulfanylmethyl)cyclopropyl]acetate
CID 107775963
methyl 2-[1-(3-oxopropylsulfanylmethyl)cyclopropyl]acetate
CID 107777659
methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107776136
methyl 2-[1-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylmethyl]cyclopropyl]acetate
CID 107775883

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate (CID 107777664) is methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate is COC(=O)CC1(CSCC(=O)C2CC2)CC1.
What is the InChIKey of methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate?
The InChIKey is MIKMRXHXEVRQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-15-11(14)6-12(4-5-12)8-16-7-10(13)9-2-3-9/h9H,2-8H2,1H3.
What are the key properties of methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate has a molecular weight of 242.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107777664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).