2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid

C12H16N2O4S — CID 107223856

IUPAC2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H16N2O4S/c15-9-4-2-1-3-8(9)13-12(18)14-10-7(11(16)17)5-6-19-10/h5-6,8-9,15H,1-4H2,(H,16,17)(H2,13,14,18)/t8-,9-/m1/s1
InChIKeyKCPFBAXCDMFILH-RKDXNWHRSA-N
MW284.34 g/mol
LogP1.87
Rot. Bonds3

About 2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid

2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 107223856) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid
PubChem CID107223856
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H16N2O4S/c15-9-4-2-1-3-8(9)13-12(18)14-10-7(11(16)17)5-6-19-10/h5-6,8-9,15H,1-4H2,(H,16,17)(H2,13,14,18)/t8-,9-/m1/s1
InChIKeyKCPFBAXCDMFILH-RKDXNWHRSA-N
XLogP1.87
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
CID 62700415
2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 64912939
2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid
CID 83235309
2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114828
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057
2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid
CID 114630339
2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62360010
2-[(3,3-dimethylcyclopentyl)carbamoylamino]thiophene-3-carboxylic acid
CID 114548192
4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62358546
2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 107796245
2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114425
2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
CID 29045233

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid (CID 107223856) is 2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid is O=C(Nc1sccc1C(=O)O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is KCPFBAXCDMFILH-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-9-4-2-1-3-8(9)13-12(18)14-10-7(11(16)17)5-6-19-10/h5-6,8-9,15H,1-4H2,(H,16,17)(H2,13,14,18)/t8-,9-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid?
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 107223856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).