5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide

C15H19NO2S — CID 79696223

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide
SMILESCC1(NC(=O)c2csc(C#CCO)c2)CCCCC1
InChIInChI=1S/C15H19NO2S/c1-15(7-3-2-4-8-15)16-14(18)12-10-13(19-11-12)6-5-9-17/h10-11,17H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyKEDRIDNRMBAJOX-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.54
Rot. Bonds2

About 5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide (PubChem CID 79696223) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide
PubChem CID79696223
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide
SMILESCC1(NC(=O)c2csc(C#CCO)c2)CCCCC1
InChIInChI=1S/C15H19NO2S/c1-15(7-3-2-4-8-15)16-14(18)12-10-13(19-11-12)6-5-9-17/h10-11,17H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyKEDRIDNRMBAJOX-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.54
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-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide (CID 79696223) is 5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide is CC1(NC(=O)c2csc(C#CCO)c2)CCCCC1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide?
The InChIKey is KEDRIDNRMBAJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-15(7-3-2-4-8-15)16-14(18)12-10-13(19-11-12)6-5-9-17/h10-11,17H,2-4,7-9H2,1H3,(H,16,18).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide is sourced from PubChem (CID 79696223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).