2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid

C9H9NO3S — CID 16774057

IUPAC2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1NC(=O)C1CC1
InChIInChI=1S/C9H9NO3S/c11-7(5-1-2-5)10-8-6(9(12)13)3-4-14-8/h3-5H,1-2H2,(H,10,11)(H,12,13)
InChIKeyKYKWANBCMHCBIN-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.79
Rot. Bonds3

About 2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid

2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid (PubChem CID 16774057) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
PubChem CID16774057
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1NC(=O)C1CC1
InChIInChI=1S/C9H9NO3S/c11-7(5-1-2-5)10-8-6(9(12)13)3-4-14-8/h3-5H,1-2H2,(H,10,11)(H,12,13)
InChIKeyKYKWANBCMHCBIN-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692
2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
CID 62700415
2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid
CID 107175082
2-(cyclopentyloxycarbamoylamino)thiophene-3-carboxylic acid
CID 83235309
2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 63114341
2-(3-cyclohexylpropanoylamino)thiophene-3-carboxylic acid
CID 29045233
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid
CID 107223856
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)thiophene-3-carboxylic acid
CID 115560759
1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide
CID 99836689
2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55168036
4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide
CID 115150767

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid (CID 16774057) is 2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid is O=C(O)c1ccsc1NC(=O)C1CC1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid?
The InChIKey is KYKWANBCMHCBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S/c11-7(5-1-2-5)10-8-6(9(12)13)3-4-14-8/h3-5H,1-2H2,(H,10,11)(H,12,13).
What are the key properties of 2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid?
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid has a molecular weight of 211.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 16774057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).