2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide

C12H17N3O2S — CID 119477780

IUPAC2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C12H17N3O2S/c13-8-1-3-9(4-2-8)15-12(17)10-5-7(6-18-10)11(14)16/h5-6,8-9H,1-4,13H2,(H2,14,16)(H,15,17)
InChIKeyMWCWKXXIVWSCRU-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.85
Rot. Bonds3

About 2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide

2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide (PubChem CID 119477780) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide
PubChem CID119477780
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C12H17N3O2S/c13-8-1-3-9(4-2-8)15-12(17)10-5-7(6-18-10)11(14)16/h5-6,8-9H,1-4,13H2,(H2,14,16)(H,15,17)
InChIKeyMWCWKXXIVWSCRU-UHFFFAOYSA-N
XLogP0.85
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride
CID 119427834
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
4-bromo-N-cyclopropylthiophene-2-carboxamide
CID 110763428
5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613369
2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide
CID 136587051
2-N-(2-amino-1-cyclopropylethyl)thiophene-2,4-dicarboxamide
CID 119616396
4-bromo-N-cyclopentylthiophene-2-carboxamide
CID 110763431
2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride
CID 119463278
2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride
CID 119574938
2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide
CID 95775212
2-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]thiophene-2,4-dicarboxamide
CID 95616963
2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide
CID 139009293

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide (CID 119477780) is 2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide is NC(=O)c1csc(C(=O)NC2CCC(N)CC2)c1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide?
The InChIKey is MWCWKXXIVWSCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-8-1-3-9(4-2-8)15-12(17)10-5-7(6-18-10)11(14)16/h5-6,8-9H,1-4,13H2,(H2,14,16)(H,15,17).
What are the key properties of 2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide?
2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 119477780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).