5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide

C13H18N2O2S — CID 113476135

IUPAC5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(C#CCN)s1)C(C)(C)CO
InChIInChI=1S/C13H18N2O2S/c1-13(2,9-16)15(3)12(17)11-7-6-10(18-11)5-4-8-14/h6-7,16H,8-9,14H2,1-3H3
InChIKeyAJYFOWRMMGHROR-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.90
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide (PubChem CID 113476135) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide
PubChem CID113476135
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(C#CCN)s1)C(C)(C)CO
InChIInChI=1S/C13H18N2O2S/c1-13(2,9-16)15(3)12(17)11-7-6-10(18-11)5-4-8-14/h6-7,16H,8-9,14H2,1-3H3
InChIKeyAJYFOWRMMGHROR-UHFFFAOYSA-N
XLogP0.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide
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5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide
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5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
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5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 61075114
5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 61433401
5-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102907704
5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
CID 61074576
5-(3-aminoprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide (CID 113476135) is 5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide is CN(C(=O)c1ccc(C#CCN)s1)C(C)(C)CO.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide?
The InChIKey is AJYFOWRMMGHROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-13(2,9-16)15(3)12(17)11-7-6-10(18-11)5-4-8-14/h6-7,16H,8-9,14H2,1-3H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 113476135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).