(4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate

C14H21NO2S — CID 114341790

IUPAC(4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OC2CCC(C)(C)CC2)cc1N
InChIInChI=1S/C14H21NO2S/c1-9-11(15)8-12(18-9)13(16)17-10-4-6-14(2,3)7-5-10/h8,10H,4-7,15H2,1-3H3
InChIKeyCONRIOGOAADEQZ-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.76
Rot. Bonds2

About (4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate

(4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 114341790) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate
PubChem CID114341790
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OC2CCC(C)(C)CC2)cc1N
InChIInChI=1S/C14H21NO2S/c1-9-11(15)8-12(18-9)13(16)17-10-4-6-14(2,3)7-5-10/h8,10H,4-7,15H2,1-3H3
InChIKeyCONRIOGOAADEQZ-UHFFFAOYSA-N
XLogP3.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
(4,4-dimethylcyclohexyl) 2-amino-4-fluorobenzoate
CID 114341474
(4,4-dimethylcyclohexyl) 4-amino-3-hydroxybenzoate
CID 114341556
(4,4-dimethylcyclohexyl) 5-methyl-4-sulfamoylfuran-2-carboxylate
CID 114342786
(4,4-dimethylcyclohexyl) 3-amino-4-chlorobenzoate
CID 114341504
1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate
CID 61308512
1-oxaspiro[4.4]nonan-2-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 102899793
(4,4-dimethylcyclohexyl) 3-aminobenzoate
CID 114341469
3,3-dimethylbutyl 4-amino-5-methylthiophene-2-carboxylate
CID 61481561
(3,5-dimethylcyclohexyl) 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 115994151
cyanomethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61316963
(4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 61102350

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of (4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate (CID 114341790) is (4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for (4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for (4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate is Cc1sc(C(=O)OC2CCC(C)(C)CC2)cc1N.
What is the InChIKey of (4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is CONRIOGOAADEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9-11(15)8-12(18-9)13(16)17-10-4-6-14(2,3)7-5-10/h8,10H,4-7,15H2,1-3H3.
What are the key properties of (4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate?
(4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 114341790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).