2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid

C14H20N2O3S — CID 64816532

IUPAC2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCCc1ccsc1)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H20N2O3S/c17-13(18)11-3-1-2-4-12(11)16-14(19)15-7-5-10-6-8-20-9-10/h6,8-9,11-12H,1-5,7H2,(H,17,18)(H2,15,16,19)
InChIKeyOPCGCOOQMAAJAN-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.23
Rot. Bonds5

About 2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid

2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 64816532) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID64816532
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCCc1ccsc1)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H20N2O3S/c17-13(18)11-3-1-2-4-12(11)16-14(19)15-7-5-10-6-8-20-9-10/h6,8-9,11-12H,1-5,7H2,(H,17,18)(H2,15,16,19)
InChIKeyOPCGCOOQMAAJAN-UHFFFAOYSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64816561
cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319451
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64816725
1-(2-oxoazepan-3-yl)-3-(2-thiophen-3-ylethyl)urea
CID 47248756
2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817875
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816372
2-hydroxy-N-(2-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 110015235
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816179
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 103009645
1-(1-oxaspiro[4.5]decan-4-yl)-3-(2-thiophen-3-ylethyl)urea
CID 138022543
(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954110
3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071458

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 64816532) is 2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NCCc1ccsc1)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is OPCGCOOQMAAJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-13(18)11-3-1-2-4-12(11)16-14(19)15-7-5-10-6-8-20-9-10/h6,8-9,11-12H,1-5,7H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).