methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate

C14H27NO2S — CID 64613535

IUPACmethyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate
SMILESCCNC1CCC(C(C)C)CC1SCC(=O)OC
InChIInChI=1S/C14H27NO2S/c1-5-15-12-7-6-11(10(2)3)8-13(12)18-9-14(16)17-4/h10-13,15H,5-9H2,1-4H3
InChIKeyPRSQIGKPKCBTOI-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.70
Rot. Bonds6

About methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate

methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate (PubChem CID 64613535) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate
PubChem CID64613535
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Namemethyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate
SMILESCCNC1CCC(C(C)C)CC1SCC(=O)OC
InChIInChI=1S/C14H27NO2S/c1-5-15-12-7-6-11(10(2)3)8-13(12)18-9-14(16)17-4/h10-13,15H,5-9H2,1-4H3
InChIKeyPRSQIGKPKCBTOI-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate?
The IUPAC name of methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate (CID 64613535) is methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate.
What is the SMILES notation for methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate?
The canonical SMILES for methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate is CCNC1CCC(C(C)C)CC1SCC(=O)OC.
What is the InChIKey of methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate?
The InChIKey is PRSQIGKPKCBTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-5-15-12-7-6-11(10(2)3)8-13(12)18-9-14(16)17-4/h10-13,15H,5-9H2,1-4H3.
What are the key properties of methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate?
methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate has a molecular weight of 273.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate is sourced from PubChem (CID 64613535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).