methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate

C15H27NO4S — CID 107778198

IUPACmethyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate
SMILESCCC1CCC(N)C(S(=O)(=O)CC2(CC(=O)OC)CC2)C1
InChIInChI=1S/C15H27NO4S/c1-3-11-4-5-12(16)13(8-11)21(18,19)10-15(6-7-15)9-14(17)20-2/h11-13H,3-10,16H2,1-2H3
InChIKeyUYKTUQQTAHLTDL-UHFFFAOYSA-N
MW317.45 g/mol
LogP1.65
Rot. Bonds6

About methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate

methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate (PubChem CID 107778198) has the molecular formula C15H27NO4S and a molecular weight of 317.45 g/mol. Its IUPAC name is methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate
PubChem CID107778198
Molecular FormulaC15H27NO4S
Molecular Weight317.45 g/mol
Exact Mass317.17
IUPAC Namemethyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate
SMILESCCC1CCC(N)C(S(=O)(=O)CC2(CC(=O)OC)CC2)C1
InChIInChI=1S/C15H27NO4S/c1-3-11-4-5-12(16)13(8-11)21(18,19)10-15(6-7-15)9-14(17)20-2/h11-13H,3-10,16H2,1-2H3
InChIKeyUYKTUQQTAHLTDL-UHFFFAOYSA-N
XLogP1.65
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate
CID 64674378
methyl 3-(2-amino-5-ethylcyclohexyl)sulfonylpropanoate
CID 64676150
methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate
CID 107776814
methyl 3-[2-(aminomethyl)-5-ethylcyclohexyl]sulfonylpropanoate
CID 64697016
methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate
CID 107778182
methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate
CID 107776601
methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate
CID 107776619
methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate
CID 107776725
methyl 2-[1-(4-aminobutan-2-ylsulfonylmethyl)cyclopropyl]acetate
CID 114000529
methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate
CID 107776635
methyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate
CID 64676161
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-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate (CID 107778198) is methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate is CCC1CCC(N)C(S(=O)(=O)CC2(CC(=O)OC)CC2)C1.
What is the InChIKey of methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate?
The InChIKey is UYKTUQQTAHLTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4S/c1-3-11-4-5-12(16)13(8-11)21(18,19)10-15(6-7-15)9-14(17)20-2/h11-13H,3-10,16H2,1-2H3.
What are the key properties of methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate has a molecular weight of 317.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107778198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).