5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide

C16H22N2OS — CID 64733139

IUPAC5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide
SMILESCC1CC(C)CC(NC(=O)c2ccc(C#CCN)s2)C1
InChIInChI=1S/C16H22N2OS/c1-11-8-12(2)10-13(9-11)18-16(19)15-6-5-14(20-15)4-3-7-17/h5-6,11-13H,7-10,17H2,1-2H3,(H,18,19)
InChIKeyNLYRPINUINSDOO-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.61
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide (PubChem CID 64733139) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide
PubChem CID64733139
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide
SMILESCC1CC(C)CC(NC(=O)c2ccc(C#CCN)s2)C1
InChIInChI=1S/C16H22N2OS/c1-11-8-12(2)10-13(9-11)18-16(19)15-6-5-14(20-15)4-3-7-17/h5-6,11-13H,7-10,17H2,1-2H3,(H,18,19)
InChIKeyNLYRPINUINSDOO-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide (CID 64733139) is 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide is CC1CC(C)CC(NC(=O)c2ccc(C#CCN)s2)C1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide?
The InChIKey is NLYRPINUINSDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-8-12(2)10-13(9-11)18-16(19)15-6-5-14(20-15)4-3-7-17/h5-6,11-13H,7-10,17H2,1-2H3,(H,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide is sourced from PubChem (CID 64733139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).