methyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate

C14H27NO4S — CID 64676161

IUPACmethyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate
SMILESCCCNC1CCC(CC)CC1S(=O)(=O)CC(=O)OC
InChIInChI=1S/C14H27NO4S/c1-4-8-15-12-7-6-11(5-2)9-13(12)20(17,18)10-14(16)19-3/h11-13,15H,4-10H2,1-3H3
InChIKeyZJEHCJMJASFANP-UHFFFAOYSA-N
MW305.44 g/mol
LogP1.52
Rot. Bonds7

About methyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate

methyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate (PubChem CID 64676161) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is methyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate
PubChem CID64676161
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC Namemethyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate
SMILESCCCNC1CCC(CC)CC1S(=O)(=O)CC(=O)OC
InChIInChI=1S/C14H27NO4S/c1-4-8-15-12-7-6-11(5-2)9-13(12)20(17,18)10-14(16)19-3/h11-13,15H,4-10H2,1-3H3
InChIKeyZJEHCJMJASFANP-UHFFFAOYSA-N
XLogP1.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.52
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-(propylamino)cycloheptyl]sulfonylpropanoate
CID 64675556
methyl 3-(2-amino-5-ethylcyclohexyl)sulfonylpropanoate
CID 64676150
methyl 3-[2-(ethylamino)-5-methylcyclohexyl]sulfonylpropanoate
CID 64675553
methyl 3-[2-(aminomethyl)-5-ethylcyclohexyl]sulfonylpropanoate
CID 64697016
4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine
CID 62784580
tert-butyl 2-(2-cyano-5-ethylcyclohexyl)sulfonylacetate
CID 116688138
4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
CID 64644514
methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate
CID 107778198
[[(1R,2R)-4-ethyl-2-(sulfooxyamino)cyclohexyl]amino] hydrogen sulfate
CID 87903429
methyl 2-(3-aminocyclopentyl)sulfonylacetate
CID 64722434
4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine
CID 113436996

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate?
The IUPAC name of methyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate (CID 64676161) is methyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate.
What is the SMILES notation for methyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate?
The canonical SMILES for methyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate is CCCNC1CCC(CC)CC1S(=O)(=O)CC(=O)OC.
What is the InChIKey of methyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate?
The InChIKey is ZJEHCJMJASFANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-4-8-15-12-7-6-11(5-2)9-13(12)20(17,18)10-14(16)19-3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of methyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate?
methyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate has a molecular weight of 305.44 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-ethyl-2-(propylamino)cyclohexyl]sulfonylacetate is sourced from PubChem (CID 64676161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).