5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide

C15H20N2OS — CID 79989898

IUPAC5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CC2C)sc1C#CCN
InChIInChI=1S/C15H20N2OS/c1-10-7-12(10)9-17(3)15(18)14-8-11(2)13(19-14)5-4-6-16/h8,10,12H,6-7,9,16H2,1-3H3
InChIKeySDEOZFYWXDDMSF-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.09
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide (PubChem CID 79989898) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide
PubChem CID79989898
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CC2C)sc1C#CCN
InChIInChI=1S/C15H20N2OS/c1-10-7-12(10)9-17(3)15(18)14-8-11(2)13(19-14)5-4-6-16/h8,10,12H,6-7,9,16H2,1-3H3
InChIKeySDEOZFYWXDDMSF-UHFFFAOYSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.09
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

5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79990324
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112663432
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-methylbutyl)thiophene-2-carboxamide
CID 79989544
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-methylsulfonylethyl)thiophene-2-carboxamide
CID 79990677
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide
CID 79989635
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-2-carboxamide
CID 81062272
5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide
CID 107420312
5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide
CID 79990216
N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 79989555
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 79998313
5-(3-aminoprop-1-ynyl)-N-ethyl-N-(2-ethylbutyl)-4-methylthiophene-2-carboxamide
CID 79997871
5-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-phenylthiophene-2-carboxamide
CID 79977273

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide (CID 79989898) is 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide is Cc1cc(C(=O)N(C)CC2CC2C)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide?
The InChIKey is SDEOZFYWXDDMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-7-12(10)9-17(3)15(18)14-8-11(2)13(19-14)5-4-6-16/h8,10,12H,6-7,9,16H2,1-3H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide has a molecular weight of 276.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 79989898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).