4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid

C12H16N2O3S — CID 66355665

IUPAC4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccsc1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H16N2O3S/c15-11(16)8-1-3-9(4-2-8)13-12(17)14-10-5-6-18-7-10/h5-9H,1-4H2,(H,15,16)(H2,13,14,17)
InChIKeyOUDPOEVIENIIJO-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.51
Rot. Bonds3

About 4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid

4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 66355665) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID66355665
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccsc1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H16N2O3S/c15-11(16)8-1-3-9(4-2-8)13-12(17)14-10-5-6-18-7-10/h5-9H,1-4H2,(H,15,16)(H2,13,14,17)
InChIKeyOUDPOEVIENIIJO-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088413
1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide
CID 171722281
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
N-cyclopropyl-2-(thiophen-3-ylamino)acetamide
CID 66350850
4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079348
4-[(3-thiophen-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078651
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
4-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183412
4-[[3-(difluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078754
4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092618
cis-(1R,3S)-3-(2-thiophen-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319451

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 66355665) is 4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(Nc1ccsc1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is OUDPOEVIENIIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-11(16)8-1-3-9(4-2-8)13-12(17)14-10-5-6-18-7-10/h5-9H,1-4H2,(H,15,16)(H2,13,14,17).
What are the key properties of 4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66355665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).