N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

C15H19NO2S — CID 64921671

IUPACN-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCC1CCC(NC(=O)c2sccc2C#CCO)C1C
InChIInChI=1S/C15H19NO2S/c1-10-5-6-13(11(10)2)16-15(18)14-12(4-3-8-17)7-9-19-14/h7,9-11,13,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyPRDZJNPAAAOSDR-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.26
Rot. Bonds2

About N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (PubChem CID 64921671) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
PubChem CID64921671
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCC1CCC(NC(=O)c2sccc2C#CCO)C1C
InChIInChI=1S/C15H19NO2S/c1-10-5-6-13(11(10)2)16-15(18)14-12(4-3-8-17)7-9-19-14/h7,9-11,13,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyPRDZJNPAAAOSDR-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)thiophene-2-carboxamide
CID 63797837
N-(3-ethyl-2-methylcyclopentyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 64914249
3-(4-hydroxybut-1-ynyl)-N-(2-methyloxolan-3-yl)thiophene-2-carboxamide
CID 82736064
N-(3,4-dimethylcyclohexyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 64741832
N-(1,3-dimethylpiperidin-4-yl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 114505804
3-(3-hydroxyprop-1-ynyl)-N-(1-methyl-6-oxopiperidin-3-yl)thiophene-2-carboxamide
CID 64668058
N-(cyclobutylmethyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 55238972
N-[3-(cyclopropylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 79395346
3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide
CID 130576413
3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide
CID 114550678
N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 65042711
N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64920882

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (CID 64921671) is N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is CC1CCC(NC(=O)c2sccc2C#CCO)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The InChIKey is PRDZJNPAAAOSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10-5-6-13(11(10)2)16-15(18)14-12(4-3-8-17)7-9-19-14/h7,9-11,13,17H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 64921671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).