3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide

C15H20N2OS — CID 55238418

IUPAC3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)c1sccc1C#CCN
InChIInChI=1S/C15H20N2OS/c1-11(2)17(10-12-5-6-12)15(18)14-13(4-3-8-16)7-9-19-14/h7,9,11-12H,5-6,8,10,16H2,1-2H3
InChIKeyAHIAAXZFWRRKLK-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.32
Rot. Bonds4

About 3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 55238418) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID55238418
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)c1sccc1C#CCN
InChIInChI=1S/C15H20N2OS/c1-11(2)17(10-12-5-6-12)15(18)14-13(4-3-8-16)7-9-19-14/h7,9,11-12H,5-6,8,10,16H2,1-2H3
InChIKeyAHIAAXZFWRRKLK-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.32
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

3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 63801275
3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 60783055
3-(3-aminoprop-1-ynyl)-N-ethyl-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide
CID 63800749
3-(3-aminoprop-1-ynyl)-N-butan-2-yl-N-methylthiophene-2-carboxamide
CID 63801444
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
CID 63801465
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methanone
CID 115561139
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 63799691
3-(3-aminoprop-1-ynyl)-N,N-dipropylthiophene-2-carboxamide
CID 63801431
3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 63799701
3-(3-aminoprop-1-ynyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 63801457
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide
CID 63799003
3-(3-aminoprop-1-ynyl)-N-(2-cyclopropylpropan-2-yl)thiophene-2-carboxamide
CID 114112039

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide (CID 55238418) is 3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(CC1CC1)C(=O)c1sccc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is AHIAAXZFWRRKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(2)17(10-12-5-6-12)15(18)14-13(4-3-8-16)7-9-19-14/h7,9,11-12H,5-6,8,10,16H2,1-2H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 276.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 55238418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).