methyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate

C12H21NO6S — CID 107776835

IUPACmethyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate
SMILESCOCCNC(=O)CS(=O)(=O)CC1(CC(=O)OC)CC1
InChIInChI=1S/C12H21NO6S/c1-18-6-5-13-10(14)8-20(16,17)9-12(3-4-12)7-11(15)19-2/h3-9H2,1-2H3,(H,13,14)
InChIKeyVPLMSMLADHHLRU-UHFFFAOYSA-N
MW307.37 g/mol
LogP-0.49
Rot. Bonds9

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

methyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate (PubChem CID 107776835) has the molecular formula C12H21NO6S and a molecular weight of 307.37 g/mol. Its IUPAC name is methyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate
PubChem CID107776835
Molecular FormulaC12H21NO6S
Molecular Weight307.37 g/mol
Exact Mass307.11
IUPAC Namemethyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate
SMILESCOCCNC(=O)CS(=O)(=O)CC1(CC(=O)OC)CC1
InChIInChI=1S/C12H21NO6S/c1-18-6-5-13-10(14)8-20(16,17)9-12(3-4-12)7-11(15)19-2/h3-9H2,1-2H3,(H,13,14)
InChIKeyVPLMSMLADHHLRU-UHFFFAOYSA-N
XLogP-0.49
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate
CID 107776725
methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate
CID 107776601
methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate
CID 107778276
2-(cyanomethylsulfonyl)-N-(2-methoxyethyl)acetamide
CID 82180952
2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide
CID 82181706
methyl 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetate
CID 107776669
methyl 2-[1-[2-(propan-2-ylamino)ethylsulfonylmethyl]cyclopropyl]acetate
CID 114000474
methyl 2-[1-[(3,5-dimethylphenyl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776733
2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443321
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
4-[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylbutanoic acid
CID 82182564
methyl 2-[1-[(2-amino-3,3-dimethylbutyl)sulfonylmethyl]cyclopropyl]acetate
CID 107778273

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate (CID 107776835) is methyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate is COCCNC(=O)CS(=O)(=O)CC1(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate?
The InChIKey is VPLMSMLADHHLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6S/c1-18-6-5-13-10(14)8-20(16,17)9-12(3-4-12)7-11(15)19-2/h3-9H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate?
methyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate has a molecular weight of 307.37 g/mol, XLogP of -0.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107776835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).