3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide

C12H16N4O2S — CID 103418253

IUPAC3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide
SMILESN#Cc1c(N2CCCC(CO)C2)sc(C(N)=O)c1N
InChIInChI=1S/C12H16N4O2S/c13-4-8-9(14)10(11(15)18)19-12(8)16-3-1-2-7(5-16)6-17/h7,17H,1-3,5-6,14H2,(H2,15,18)
InChIKeyLHUABIFOHXGVJH-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.51
Rot. Bonds3

About 3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide

3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide (PubChem CID 103418253) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide
PubChem CID103418253
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide
SMILESN#Cc1c(N2CCCC(CO)C2)sc(C(N)=O)c1N
InChIInChI=1S/C12H16N4O2S/c13-4-8-9(14)10(11(15)18)19-12(8)16-3-1-2-7(5-16)6-17/h7,17H,1-3,5-6,14H2,(H2,15,18)
InChIKeyLHUABIFOHXGVJH-UHFFFAOYSA-N
XLogP0.51
TPSA116.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile
CID 103418224
methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate
CID 103418259
3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103506254
3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide
CID 103422771
5-acetyl-4-amino-2-(3-ethylpyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103506125
3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417583
3-amino-4-cyano-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophene-2-carboxamide
CID 103507650
3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide
CID 103418251
3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103419483
methyl 3-amino-4-cyano-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103507257
5-acetyl-4-amino-2-(4-methylazepan-1-yl)thiophene-3-carbonitrile
CID 103422082
3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422052

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide (CID 103418253) is 3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide is N#Cc1c(N2CCCC(CO)C2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide?
The InChIKey is LHUABIFOHXGVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-4-8-9(14)10(11(15)18)19-12(8)16-3-1-2-7(5-16)6-17/h7,17H,1-3,5-6,14H2,(H2,15,18).
What are the key properties of 3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide?
3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 103418253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).