5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide

C16H22N2OS — CID 79683547

IUPAC5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide
SMILESCC1CCC(N(C)C(=O)c2csc(C#CCN)c2)CC1
InChIInChI=1S/C16H22N2OS/c1-12-5-7-14(8-6-12)18(2)16(19)13-10-15(20-11-13)4-3-9-17/h10-12,14H,5-9,17H2,1-2H3
InChIKeyIAUYPRPPROIHSS-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.71
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide (PubChem CID 79683547) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide
PubChem CID79683547
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide
SMILESCC1CCC(N(C)C(=O)c2csc(C#CCN)c2)CC1
InChIInChI=1S/C16H22N2OS/c1-12-5-7-14(8-6-12)18(2)16(19)13-10-15(20-11-13)4-3-9-17/h10-12,14H,5-9,17H2,1-2H3
InChIKeyIAUYPRPPROIHSS-UHFFFAOYSA-N
XLogP2.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide with MolForge

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-3-carboxamide
CID 79684421
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 79692421
5-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]thiophene-3-carboxamide
CID 79684114
5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide
CID 79696521
5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethylthiophene-3-carboxamide
CID 79683563
5-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-3-carboxamide
CID 79684197
5-(3-aminoprop-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 79696873
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(4-ethylpiperidin-1-yl)methanone
CID 79683936
5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide
CID 60738324
5-(3-aminoprop-1-ynyl)-N-[(3-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 79691348
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-(3-methylthiomorpholin-4-yl)methanone
CID 79684118
5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79684356

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide (CID 79683547) is 5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide is CC1CCC(N(C)C(=O)c2csc(C#CCN)c2)CC1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide?
The InChIKey is IAUYPRPPROIHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12-5-7-14(8-6-12)18(2)16(19)13-10-15(20-11-13)4-3-9-17/h10-12,14H,5-9,17H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide is sourced from PubChem (CID 79683547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).