3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H19NO3S — CID 55147878

IUPAC3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCCC(C(=O)O)C2)c(C)s1
InChIInChI=1S/C14H19NO3S/c1-8-6-12(9(2)19-8)13(16)15-11-5-3-4-10(7-11)14(17)18/h6,10-11H,3-5,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUIVDUSZWDTXFNY-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.74
Rot. Bonds3

About 3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid

3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 55147878) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID55147878
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCCC(C(=O)O)C2)c(C)s1
InChIInChI=1S/C14H19NO3S/c1-8-6-12(9(2)19-8)13(16)15-11-5-3-4-10(7-11)14(17)18/h6,10-11H,3-5,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUIVDUSZWDTXFNY-UHFFFAOYSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dibromothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 103932797
cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone
CID 43161431
3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115923955
4-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210197
3-[(5-bromo-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107729349
3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013540
3-[(3,5-dichloro-2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63042553
3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043634
3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044539
3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63042381
3-[(2-chloro-3-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81454437
3-[(5-iodothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79685648

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 55147878) is 3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1cc(C(=O)NC2CCCC(C(=O)O)C2)c(C)s1.
What is the InChIKey of 3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UIVDUSZWDTXFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-8-6-12(9(2)19-8)13(16)15-11-5-3-4-10(7-11)14(17)18/h6,10-11H,3-5,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55147878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).