4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C14H19NO3S — CID 79803145

IUPAC4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cscc1C(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H19NO3S/c1-9-7-19-8-12(9)13(16)15-6-10-2-4-11(5-3-10)14(17)18/h7-8,10-11H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyFRGQWFWTNDIBBO-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.68
Rot. Bonds4

About 4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79803145) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79803145
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cscc1C(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H19NO3S/c1-9-7-19-8-12(9)13(16)15-6-10-2-4-11(5-3-10)14(17)18/h7-8,10-11H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyFRGQWFWTNDIBBO-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79808514
N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide
CID 106126254
2-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79802782
4-[[(5-bromo-2-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526397
4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526408
4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525609
4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526280
4-[[(2-amino-5-bromobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 21470552
4-methyl-1-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115440888
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
4-methyl-N-[2-(methylamino)propyl]thiophene-3-carboxamide
CID 120831829
2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 79803050

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79803145) is 4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is Cc1cscc1C(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is FRGQWFWTNDIBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9-7-19-8-12(9)13(16)15-6-10-2-4-11(5-3-10)14(17)18/h7-8,10-11H,2-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79803145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).