ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate

C14H21NO2S — CID 115149178

IUPACethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Nc2sccc2C)CC1
InChIInChI=1S/C14H21NO2S/c1-3-17-14(16)11-4-6-12(7-5-11)15-13-10(2)8-9-18-13/h8-9,11-12,15H,3-7H2,1-2H3
InChIKeyZLUKPJBTDGLFIP-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.59
Rot. Bonds4

About ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate

ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate (PubChem CID 115149178) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate
PubChem CID115149178
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nameethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Nc2sccc2C)CC1
InChIInChI=1S/C14H21NO2S/c1-3-17-14(16)11-4-6-12(7-5-11)15-13-10(2)8-9-18-13/h8-9,11-12,15H,3-7H2,1-2H3
InChIKeyZLUKPJBTDGLFIP-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate
CID 115149176
ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54867048
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
ethyl 4-(2-amino-4-fluoroanilino)cyclohexane-1-carboxylate
CID 67213320
ethyl 2-[(3-methylthiophen-2-yl)amino]acetate
CID 115257254
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 3-[(3-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 115138478
ethyl 4-[(3-amino-3-methylbutyl)amino]cyclohexane-1-carboxylate
CID 112753907
ethyl 4-[(2,4-dimethylphenyl)methylamino]cyclohexane-1-carboxylate
CID 60934439
ethyl 4-[[2-(4-aminophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 119738178
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
CID 60934314

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate (CID 115149178) is ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(Nc2sccc2C)CC1.
What is the InChIKey of ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate?
The InChIKey is ZLUKPJBTDGLFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-17-14(16)11-4-6-12(7-5-11)15-13-10(2)8-9-18-13/h8-9,11-12,15H,3-7H2,1-2H3.
What are the key properties of ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate?
ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-methylthiophen-2-yl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115149178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).