4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide

C13H18N2OS — CID 114693690

IUPAC4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2=CCNCC2)sc1C
InChIInChI=1S/C13H18N2OS/c1-9-7-12(17-10(9)2)13(16)15-8-11-3-5-14-6-4-11/h3,7,14H,4-6,8H2,1-2H3,(H,15,16)
InChIKeyHUNPQICYSASNIZ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.01
Rot. Bonds3

About 4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide

4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 114693690) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID114693690
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2=CCNCC2)sc1C
InChIInChI=1S/C13H18N2OS/c1-9-7-12(17-10(9)2)13(16)15-8-11-3-5-14-6-4-11/h3,7,14H,4-6,8H2,1-2H3,(H,15,16)
InChIKeyHUNPQICYSASNIZ-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide (CID 114693690) is 4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCC2=CCNCC2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is HUNPQICYSASNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9-7-12(17-10(9)2)13(16)15-8-11-3-5-14-6-4-11/h3,7,14H,4-6,8H2,1-2H3,(H,15,16).
What are the key properties of 4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide?
4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 114693690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).