tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate

C16H31NO2S — CID 116687889

IUPACtert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate
SMILESCCNC(CSCC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H31NO2S/c1-5-17-14(13-9-7-6-8-10-13)11-20-12-15(18)19-16(2,3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyGOFDOYRAHZIROQ-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.62
Rot. Bonds7

About tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate

tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate (PubChem CID 116687889) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate.

Molecular Properties

Compound Nametert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate
PubChem CID116687889
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Nametert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate
SMILESCCNC(CSCC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H31NO2S/c1-5-17-14(13-9-7-6-8-10-13)11-20-12-15(18)19-16(2,3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyGOFDOYRAHZIROQ-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide
CID 114232165
tert-butyl 2-[2-(ethylamino)-3-methylpentyl]sulfanylacetate
CID 116688074
2-tert-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 65132569
tert-butyl N-[1-cyclohexyl-1-(ethylamino)propan-2-yl]carbamate
CID 69262935
tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate
CID 81386235
tert-butyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81384159
tert-butyl 2-(2-cyclopentyl-2-oxoethyl)sulfanylacetate
CID 116687313
2-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 104755000
1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine
CID 104755967
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
tert-butyl 4-cyclohexyl-4-(methoxycarbonylamino)butanoate
CID 163923259
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate?
The IUPAC name of tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate (CID 116687889) is tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate.
What is the SMILES notation for tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate?
The canonical SMILES for tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate is CCNC(CSCC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate?
The InChIKey is GOFDOYRAHZIROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-5-17-14(13-9-7-6-8-10-13)11-20-12-15(18)19-16(2,3)4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate?
tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate has a molecular weight of 301.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate is sourced from PubChem (CID 116687889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).