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

C15H20N2OS — CID 79990031

IUPAC5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)sc1C#CCN
InChIInChI=1S/C15H20N2OS/c1-11-10-14(19-13(11)8-5-9-16)15(18)17-12-6-3-2-4-7-12/h10,12H,2-4,6-7,9,16H2,1H3,(H,17,18)
InChIKeyDRZZJIPMLILDPJ-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.43
Rot. Bonds2

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

5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide (PubChem CID 79990031) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide
PubChem CID79990031
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)sc1C#CCN
InChIInChI=1S/C15H20N2OS/c1-11-10-14(19-13(11)8-5-9-16)15(18)17-12-6-3-2-4-7-12/h10,12H,2-4,6-7,9,16H2,1H3,(H,17,18)
InChIKeyDRZZJIPMLILDPJ-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-aminoprop-1-ynyl)-N-cyclopentyl-4-methylthiophene-2-carboxamide
CID 79989786
5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide
CID 79990036
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)-4-methylthiophene-2-carboxamide
CID 79990485
5-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclohexyl)-4-methylthiophene-2-carboxamide
CID 79978093
5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide
CID 79990489
5-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-2-carboxamide
CID 79998735
5-(3-aminoprop-1-ynyl)-N-(2,2-dicyclopropylethyl)-4-methylthiophene-2-carboxamide
CID 79998554
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)-4-methylthiophene-2-carboxamide
CID 79990424
5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide
CID 107420312
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79990324
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(oxan-3-yl)thiophene-2-carboxamide
CID 79990009
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
CID 65310682

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide (CID 79990031) is 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC2CCCCC2)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide?
The InChIKey is DRZZJIPMLILDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-10-14(19-13(11)8-5-9-16)15(18)17-12-6-3-2-4-7-12/h10,12H,2-4,6-7,9,16H2,1H3,(H,17,18).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-4-methylthiophene-2-carboxamide has a molecular weight of 276.41 g/mol, XLogP of 2.43, 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-cyclohexyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79990031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).