methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate

C13H25NO3S — CID 107777806

IUPACmethyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate
SMILESCCN(CC)CCS(=O)CC1(CC(=O)OC)CC1
InChIInChI=1S/C13H25NO3S/c1-4-14(5-2)8-9-18(16)11-13(6-7-13)10-12(15)17-3/h4-11H2,1-3H3
InChIKeyZOOQNGDIDLBHHE-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.42
Rot. Bonds9

About methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate

methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate (PubChem CID 107777806) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate
PubChem CID107777806
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Namemethyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate
SMILESCCN(CC)CCS(=O)CC1(CC(=O)OC)CC1
InChIInChI=1S/C13H25NO3S/c1-4-14(5-2)8-9-18(16)11-13(6-7-13)10-12(15)17-3/h4-11H2,1-3H3
InChIKeyZOOQNGDIDLBHHE-UHFFFAOYSA-N
XLogP1.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(heptylsulfinylmethyl)cyclopropyl]acetate
CID 107777793
methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate
CID 107777735
methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate
CID 107777928
methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate
CID 107777736
methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777867
methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 107777860
methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate
CID 107777841
methyl 2-(1-propylcyclopropyl)acetate
CID 123587364
methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 114000414
methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate
CID 107777842
methyl 2-[1-[(2,6-dimethylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777825
methyl 2-[1-[(2-methyltetrazol-5-yl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777875

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate (CID 107777806) is methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate is CCN(CC)CCS(=O)CC1(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate?
The InChIKey is ZOOQNGDIDLBHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-4-14(5-2)8-9-18(16)11-13(6-7-13)10-12(15)17-3/h4-11H2,1-3H3.
What are the key properties of methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate?
methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate has a molecular weight of 275.41 g/mol, XLogP of 1.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107777806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).