methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate

C10H19NO4S — CID 107778276

IUPACmethyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate
SMILESCNCCS(=O)(=O)CC1(CC(=O)OC)CC1
InChIInChI=1S/C10H19NO4S/c1-11-5-6-16(13,14)8-10(3-4-10)7-9(12)15-2/h11H,3-8H2,1-2H3
InChIKeyJDRZWSLDNLCUSZ-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.04
Rot. Bonds7

About methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate

methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate (PubChem CID 107778276) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate
PubChem CID107778276
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Namemethyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate
SMILESCNCCS(=O)(=O)CC1(CC(=O)OC)CC1
InChIInChI=1S/C10H19NO4S/c1-11-5-6-16(13,14)8-10(3-4-10)7-9(12)15-2/h11H,3-8H2,1-2H3
InChIKeyJDRZWSLDNLCUSZ-UHFFFAOYSA-N
XLogP-0.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfonylmethyl]cyclopropyl]acetate
CID 107776766
Methyl 2-[1-[(4-amino-1,1,1-trifluorobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate
CID 107778697
Methyl 2-[1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]sulfonylmethyl]cyclopropyl]acetate
CID 107778707
2-[1-[[2-(Methylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetic acid
CID 65441348
2-[1-[[2-(Ethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetic acid
CID 65442138
2-[1-[[3-(Methylamino)-3-oxopropyl]sulfonylmethyl]cyclopropyl]acetic acid
CID 65442920
2-[1-[[1-(Methylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid
CID 65443707
Methyl 3-[[1-(2-aminoethyl)cyclopropyl]methylsulfonyl]propanoate
CID 65492432
Methyl 2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetate
CID 107776182
Methyl 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethylsulfanylmethyl]cyclopropyl]acetate
CID 107776322
Methyl 2-[1-(2-aminoethylsulfanylmethyl)cyclopropyl]acetate
CID 107776461
2-Amino-3-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfonyl]propanoic acid
CID 107776536

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate (CID 107778276) is methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate is CNCCS(=O)(=O)CC1(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate?
The InChIKey is JDRZWSLDNLCUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-11-5-6-16(13,14)8-10(3-4-10)7-9(12)15-2/h11H,3-8H2,1-2H3.
What are the key properties of methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate?
methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate has a molecular weight of 249.33 g/mol, XLogP of -0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107778276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).