5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide

C17H24N2OS — CID 79978093

IUPAC5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCCC(C)C2C)sc1C#CCN
InChIInChI=1S/C17H24N2OS/c1-11-6-4-7-14(13(11)3)19-17(20)16-10-12(2)15(21-16)8-5-9-18/h10-11,13-14H,4,6-7,9,18H2,1-3H3,(H,19,20)
InChIKeyLOILXVDPXGEECF-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.92
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide (PubChem CID 79978093) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
PubChem CID79978093
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCCC(C)C2C)sc1C#CCN
InChIInChI=1S/C17H24N2OS/c1-11-6-4-7-14(13(11)3)19-17(20)16-10-12(2)15(21-16)8-5-9-18/h10-11,13-14H,4,6-7,9,18H2,1-3H3,(H,19,20)
InChIKeyLOILXVDPXGEECF-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.92
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-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide (CID 79978093) is 5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC2CCCC(C)C2C)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide?
The InChIKey is LOILXVDPXGEECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11-6-4-7-14(13(11)3)19-17(20)16-10-12(2)15(21-16)8-5-9-18/h10-11,13-14H,4,6-7,9,18H2,1-3H3,(H,19,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 2.92, 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-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79978093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).