5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid

C15H21NO3S — CID 122110239

IUPAC5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCCC1(C(=O)NCc2ccc(C(=O)O)s2)CCCCC1
InChIInChI=1S/C15H21NO3S/c1-2-15(8-4-3-5-9-15)14(19)16-10-11-6-7-12(20-11)13(17)18/h6-7H,2-5,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyYJQVYCRBAZABEL-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.42
Rot. Bonds5

About 5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid

5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 122110239) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID122110239
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCCC1(C(=O)NCc2ccc(C(=O)O)s2)CCCCC1
InChIInChI=1S/C15H21NO3S/c1-2-15(8-4-3-5-9-15)14(19)16-10-11-6-7-12(20-11)13(17)18/h6-7H,2-5,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyYJQVYCRBAZABEL-UHFFFAOYSA-N
XLogP3.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(1-prop-2-enylcyclobutanecarbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110257
5-[[(1-methylcyclohexyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 114095055
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
CID 84680344
5-[[(1-phenoxycyclopropanecarbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110206
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103263988
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide
CID 115437904
N-[(5-ethylthiophen-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907354
5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid
CID 103244365
4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid
CID 63128895
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
5-[(2-cycloheptyloxypropanoylamino)methyl]thiophene-2-carboxylic acid
CID 122110467
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103238410

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid (CID 122110239) is 5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid is CCC1(C(=O)NCc2ccc(C(=O)O)s2)CCCCC1.
What is the InChIKey of 5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is YJQVYCRBAZABEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-2-15(8-4-3-5-9-15)14(19)16-10-11-6-7-12(20-11)13(17)18/h6-7H,2-5,8-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid?
5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 295.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122110239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).