methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate

C13H23NO4S — CID 107777860

IUPACmethyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)CC(=O)N(C)C(C)C)CC1
InChIInChI=1S/C13H23NO4S/c1-10(2)14(3)11(15)8-19(17)9-13(5-6-13)7-12(16)18-4/h10H,5-9H2,1-4H3
InChIKeyWMHBURQIKCOLIZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.95
Rot. Bonds7

About methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate

methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate (PubChem CID 107777860) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
PubChem CID107777860
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Namemethyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)CC(=O)N(C)C(C)C)CC1
InChIInChI=1S/C13H23NO4S/c1-10(2)14(3)11(15)8-19(17)9-13(5-6-13)7-12(16)18-4/h10H,5-9H2,1-4H3
InChIKeyWMHBURQIKCOLIZ-UHFFFAOYSA-N
XLogP0.95
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate
CID 107777928
methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 114000414
methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate
CID 107777841
methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate
CID 107777735
methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777806
methyl 2-[1-(heptylsulfinylmethyl)cyclopropyl]acetate
CID 107777793
methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate
CID 107777736
methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate
CID 115174190
methyl 2-[1-[2-(4-methoxyphenyl)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777867
methyl 2-[1-[(2,6-dimethylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777825
methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate
CID 107777752
2-methyl-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylpropanoic acid
CID 64916958

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate (CID 107777860) is methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate is COC(=O)CC1(CS(=O)CC(=O)N(C)C(C)C)CC1.
What is the InChIKey of methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate?
The InChIKey is WMHBURQIKCOLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-10(2)14(3)11(15)8-19(17)9-13(5-6-13)7-12(16)18-4/h10H,5-9H2,1-4H3.
What are the key properties of methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate?
methyl 2-[1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate has a molecular weight of 289.40 g/mol, XLogP of 0.95, 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-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107777860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).