2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid

C13H17NO3S — CID 120545135

IUPAC2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)c2ccsc2)CCCCC1C(=O)O
InChIInChI=1S/C13H17NO3S/c1-13(6-3-2-4-10(13)12(16)17)14-11(15)9-5-7-18-8-9/h5,7-8,10H,2-4,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyUVYGQMUFHBPRKO-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.51
Rot. Bonds3

About 2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid

2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 120545135) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID120545135
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)c2ccsc2)CCCCC1C(=O)O
InChIInChI=1S/C13H17NO3S/c1-13(6-3-2-4-10(13)12(16)17)14-11(15)9-5-7-18-8-9/h5,7-8,10H,2-4,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyUVYGQMUFHBPRKO-UHFFFAOYSA-N
XLogP2.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546463
2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120546347
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545136
2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545198
2-[[4-(cyanomethyl)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546510
2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545600
2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120545331
2-[(4-chlorothiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 154846768
1-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 83214052
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545944
2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545119
2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120690148

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid (CID 120545135) is 2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid is CC1(NC(=O)c2ccsc2)CCCCC1C(=O)O.
What is the InChIKey of 2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is UVYGQMUFHBPRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-13(6-3-2-4-10(13)12(16)17)14-11(15)9-5-7-18-8-9/h5,7-8,10H,2-4,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid?
2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).