5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide

C14H19NO2S2 — CID 112663411

IUPAC5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide
SMILESCSCC(C)N(C)C(=O)c1ccc(C#CCCO)s1
InChIInChI=1S/C14H19NO2S2/c1-11(10-18-3)15(2)14(17)13-8-7-12(19-13)6-4-5-9-16/h7-8,11,16H,5,9-10H2,1-3H3
InChIKeyZUBNUISQDLATIB-UHFFFAOYSA-N
MW297.45 g/mol
LogP2.31
Rot. Bonds5

About 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide

5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 112663411) has the molecular formula C14H19NO2S2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide
PubChem CID112663411
Molecular FormulaC14H19NO2S2
Molecular Weight297.45 g/mol
Exact Mass297.09
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide
SMILESCSCC(C)N(C)C(=O)c1ccc(C#CCCO)s1
InChIInChI=1S/C14H19NO2S2/c1-11(10-18-3)15(2)14(17)13-8-7-12(19-13)6-4-5-9-16/h7-8,11,16H,5,9-10H2,1-3H3
InChIKeyZUBNUISQDLATIB-UHFFFAOYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-carboxamide
CID 115986830
N,N-diethyl-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61075799
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)thiophene-2-carboxamide
CID 63960348
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-2-carboxamide
CID 81062640
N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide
CID 63699675
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(oxan-4-yl)thiophene-2-carboxamide
CID 61074743
N-[2-(dimethylsulfamoyl)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 106342113
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61075989
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 61075114
[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837182
5-(4-hydroxybut-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 64517744
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 103190506

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide (CID 112663411) is 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide is CSCC(C)N(C)C(=O)c1ccc(C#CCCO)s1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is ZUBNUISQDLATIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S2/c1-11(10-18-3)15(2)14(17)13-8-7-12(19-13)6-4-5-9-16/h7-8,11,16H,5,9-10H2,1-3H3.
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 297.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 112663411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).