5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide

C13H17NO2S — CID 61075114

IUPAC5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(C)C(=O)c1ccc(C#CCO)s1
InChIInChI=1S/C13H17NO2S/c1-10(2)9-14(3)13(16)12-7-6-11(17-12)5-4-8-15/h6-7,10,15H,8-9H2,1-3H3
InChIKeyLXAKINDNHAWTOO-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.82
Rot. Bonds3

About 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 61075114) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID61075114
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(C)C(=O)c1ccc(C#CCO)s1
InChIInChI=1S/C13H17NO2S/c1-10(2)9-14(3)13(16)12-7-6-11(17-12)5-4-8-15/h6-7,10,15H,8-9H2,1-3H3
InChIKeyLXAKINDNHAWTOO-UHFFFAOYSA-N
XLogP1.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 103190506
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61411636
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 61075111
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)-N-methylthiophene-2-carboxamide
CID 62981333
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-2-carboxamide
CID 81062640
N-butyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61075090
N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide
CID 63699675
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 82748571
N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61076880
N-(2,2-dimethylpropyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61167472
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide
CID 112663411
5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide
CID 113476135

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide (CID 61075114) is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide is CC(C)CN(C)C(=O)c1ccc(C#CCO)s1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is LXAKINDNHAWTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-10(2)9-14(3)13(16)12-7-6-11(17-12)5-4-8-15/h6-7,10,15H,8-9H2,1-3H3.
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 61075114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).