5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide

C14H21N3O2S — CID 64975447

IUPAC5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide
SMILESCc1c(C(=O)N(C)C)sc(N)c1C(=O)N1CCCCC1
InChIInChI=1S/C14H21N3O2S/c1-9-10(13(18)17-7-5-4-6-8-17)12(15)20-11(9)14(19)16(2)3/h4-8,15H2,1-3H3
InChIKeyFILAGMFXCKDDPI-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.97
Rot. Bonds2

About 5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide

5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide (PubChem CID 64975447) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide
PubChem CID64975447
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide
SMILESCc1c(C(=O)N(C)C)sc(N)c1C(=O)N1CCCCC1
InChIInChI=1S/C14H21N3O2S/c1-9-10(13(18)17-7-5-4-6-8-17)12(15)20-11(9)14(19)16(2)3/h4-8,15H2,1-3H3
InChIKeyFILAGMFXCKDDPI-UHFFFAOYSA-N
XLogP1.97
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide
CID 64975435
ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 735026
[2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone
CID 114830957
methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899109
2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 82056935
3-amino-5-(azocan-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103420679
5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide
CID 64975420
ethyl 2-[[2-(azocan-1-yl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 5110466
ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 8895672
3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419875
(2-amino-4,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-piperidin-1-ylmethanone
CID 64775355
(2-amino-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-3-yl)-pyrrolidin-1-ylmethanone
CID 79840390

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide?
The IUPAC name of 5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide (CID 64975447) is 5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide?
The canonical SMILES for 5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide is Cc1c(C(=O)N(C)C)sc(N)c1C(=O)N1CCCCC1.
What is the InChIKey of 5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide?
The InChIKey is FILAGMFXCKDDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-10(13(18)17-7-5-4-6-8-17)12(15)20-11(9)14(19)16(2)3/h4-8,15H2,1-3H3.
What are the key properties of 5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide?
5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide is sourced from PubChem (CID 64975447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).