2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid

C12H18N2O3S — CID 63114709

IUPAC2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCN(CC(C)(C)C)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-12(2,3)7-14(4)11(17)13-9-8(10(15)16)5-6-18-9/h5-6H,7H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyREMWIWSWQKDORN-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.96
Rot. Bonds3

About 2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid

2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63114709) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID63114709
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCN(CC(C)(C)C)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-12(2,3)7-14(4)11(17)13-9-8(10(15)16)5-6-18-9/h5-6H,7H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyREMWIWSWQKDORN-UHFFFAOYSA-N
XLogP2.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113966
2-[[methyl(2-methylpropyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114025
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55168036
2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114506
2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469
2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid
CID 167926285
2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63113991
2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 112662438
2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113816
2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114407
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177506

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 63114709) is 2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid is CN(CC(C)(C)C)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is REMWIWSWQKDORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(2,3)7-14(4)11(17)13-9-8(10(15)16)5-6-18-9/h5-6H,7H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 270.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).