ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate

C16H29NO2S — CID 63920437

IUPACethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate
SMILESCCNC(CSC1CCCCC1)(C(=O)OCC)C1CC1
InChIInChI=1S/C16H29NO2S/c1-3-17-16(13-10-11-13,15(18)19-4-2)12-20-14-8-6-5-7-9-14/h13-14,17H,3-12H2,1-2H3
InChIKeyHCUNPGDXRPLCGO-UHFFFAOYSA-N
MW299.48 g/mol
LogP3.37
Rot. Bonds8

About ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate

ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate (PubChem CID 63920437) has the molecular formula C16H29NO2S and a molecular weight of 299.48 g/mol. Its IUPAC name is ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate
PubChem CID63920437
Molecular FormulaC16H29NO2S
Molecular Weight299.48 g/mol
Exact Mass299.19
IUPAC Nameethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate
SMILESCCNC(CSC1CCCCC1)(C(=O)OCC)C1CC1
InChIInChI=1S/C16H29NO2S/c1-3-17-16(13-10-11-13,15(18)19-4-2)12-20-14-8-6-5-7-9-14/h13-14,17H,3-12H2,1-2H3
InChIKeyHCUNPGDXRPLCGO-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63920831
ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate
CID 63920634
ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-methoxyethylsulfanyl)propanoate
CID 63915893
ethyl 2-cyclopropyl-2-(ethylamino)-3-[2-(methylamino)-2-oxoethyl]sulfanylpropanoate
CID 114231914
ethyl 3-(azepan-1-yl)-2-cyclopropyl-2-(ethylamino)propanoate
CID 63907858
ethyl 2-cyclopropyl-2-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 63921714
ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate
CID 63921616
ethyl 5-cyclopentylsulfanyl-2-(ethylamino)-2-methylpentanoate
CID 63115258
ethyl 2-cyclopropyl-2-(ethylamino)-3-(3-methylphenyl)sulfanylpropanoate
CID 63921422
ethyl 2-cyclopropyl-2-(ethylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoate
CID 63916704
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate
CID 63905558
ethyl 2-cyclopropyl-3-(3-methylbutan-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107755679

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate?
The IUPAC name of ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate (CID 63920437) is ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate.
What is the SMILES notation for ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate?
The canonical SMILES for ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate is CCNC(CSC1CCCCC1)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate?
The InChIKey is HCUNPGDXRPLCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2S/c1-3-17-16(13-10-11-13,15(18)19-4-2)12-20-14-8-6-5-7-9-14/h13-14,17H,3-12H2,1-2H3.
What are the key properties of ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate?
ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate has a molecular weight of 299.48 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate is sourced from PubChem (CID 63920437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).