methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate

C12H19NO4S — CID 114000414

IUPACmethyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)CC(=O)NC2CC2)CC1
InChIInChI=1S/C12H19NO4S/c1-17-11(15)6-12(4-5-12)8-18(16)7-10(14)13-9-2-3-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyYZESRBHSRUDIBR-UHFFFAOYSA-N
MW273.35 g/mol
LogP0.36
Rot. Bonds7

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

methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate (PubChem CID 114000414) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
PubChem CID114000414
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Namemethyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)CC(=O)NC2CC2)CC1
InChIInChI=1S/C12H19NO4S/c1-17-11(15)6-12(4-5-12)8-18(16)7-10(14)13-9-2-3-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyYZESRBHSRUDIBR-UHFFFAOYSA-N
XLogP0.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate
CID 107777736
methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate
CID 107777928
methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate
CID 107777735
methyl 2-[1-(heptylsulfinylmethyl)cyclopropyl]acetate
CID 107777793
methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777806
methyl 2-[1-[[2-(cycloheptylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetate
CID 107775985
methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate
CID 107777842
methyl 2-[1-[(2,6-dimethylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777825
ethyl 5-[2-(cyclopropylamino)-2-oxoethyl]sulfinyl-4-oxopentanoate
CID 114233111
methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777987
methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777867
methyl 2-[1-[(2-carbamoylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777756

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate (CID 114000414) is methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate is COC(=O)CC1(CS(=O)CC(=O)NC2CC2)CC1.
What is the InChIKey of methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate?
The InChIKey is YZESRBHSRUDIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-17-11(15)6-12(4-5-12)8-18(16)7-10(14)13-9-2-3-9/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate?
methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate has a molecular weight of 273.35 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 114000414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).