2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid

C13H18N2O4S — CID 64912939

IUPAC2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid
SMILESO=C(NCC1CCCCC1O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H18N2O4S/c16-10-4-2-1-3-8(10)7-14-13(19)15-11-9(12(17)18)5-6-20-11/h5-6,8,10,16H,1-4,7H2,(H,17,18)(H2,14,15,19)
InChIKeyOKBQFKXRCSVLMM-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.12
Rot. Bonds4

About 2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid

2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid (PubChem CID 64912939) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid
PubChem CID64912939
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid
SMILESO=C(NCC1CCCCC1O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H18N2O4S/c16-10-4-2-1-3-8(10)7-14-13(19)15-11-9(12(17)18)5-6-20-11/h5-6,8,10,16H,1-4,7H2,(H,17,18)(H2,14,15,19)
InChIKeyOKBQFKXRCSVLMM-UHFFFAOYSA-N
XLogP2.12
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methoxyethylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113498
2-[(3,3,3-Trifluoro-2-hydroxypropyl)carbamoylamino]thiophene-3-carboxylic acid
CID 105648159
2-[(3,3-Difluoro-2-hydroxypropyl)carbamoylamino]thiophene-3-carboxylic acid
CID 105648177
2-[(2,2-Difluoro-3-hydroxypropyl)carbamoylamino]thiophene-3-carboxylic acid
CID 114154269
2-(Ethylcarbamoylamino)thiophene-3-carboxylic acid
CID 43164837
2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]thiophene-3-carboxylic acid
CID 141016960
2-(Azocane-1-carbonylamino)thiophene-3-carboxylic acid
CID 11150241
2-(Cyclohexylcarbamoylamino)thiophene-3-carboxylic acid
CID 16773648
2-(Propylcarbamoylamino)thiophene-3-carboxylic acid
CID 28786046
2-(Butylcarbamoylamino)thiophene-3-carboxylic acid
CID 28786050
2-(2-Methylpropylcarbamoylamino)thiophene-3-carboxylic acid
CID 53397431
2-(Cyclohexylmethylcarbamoylamino)thiophene-3-carboxylic acid
CID 53397438

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid (CID 64912939) is 2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid is O=C(NCC1CCCCC1O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is OKBQFKXRCSVLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-10-4-2-1-3-8(10)7-14-13(19)15-11-9(12(17)18)5-6-20-11/h5-6,8,10,16H,1-4,7H2,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid?
2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 64912939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).