5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide

C14H18N2OS2 — CID 79989635

IUPAC5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCSC2)sc1C#CCN
InChIInChI=1S/C14H18N2OS2/c1-10-8-13(19-12(10)4-3-6-15)14(17)16(2)11-5-7-18-9-11/h8,11H,5-7,9,15H2,1-2H3
InChIKeyBTLKYKKHLJYRAU-UHFFFAOYSA-N
MW294.45 g/mol
LogP1.94
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide (PubChem CID 79989635) has the molecular formula C14H18N2OS2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide
PubChem CID79989635
Molecular FormulaC14H18N2OS2
Molecular Weight294.45 g/mol
Exact Mass294.09
IUPAC Name5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCSC2)sc1C#CCN
InChIInChI=1S/C14H18N2OS2/c1-10-8-13(19-12(10)4-3-6-15)14(17)16(2)11-5-7-18-9-11/h8,11H,5-7,9,15H2,1-2H3
InChIKeyBTLKYKKHLJYRAU-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 51.94
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-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79990324
N-cycloheptyl-5-(3-hydroxyprop-1-ynyl)-N,4-dimethylthiophene-2-carboxamide
CID 79977994
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide
CID 79989898
5-(3-hydroxyprop-1-ynyl)-N,4-dimethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 79976121
5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 62960675
5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide
CID 79990489
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112663432
5-(3-aminoprop-1-ynyl)-N-(2,2-dicyclopropylethyl)-4-methylthiophene-2-carboxamide
CID 79998554
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-(2-methylbutyl)thiophene-2-carboxamide
CID 79989544
5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide
CID 79990216
5-(3-aminoprop-1-ynyl)-N-cyclopentyl-4-methylthiophene-2-carboxamide
CID 79989786

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide (CID 79989635) is 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide is Cc1cc(C(=O)N(C)C2CCSC2)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide?
The InChIKey is BTLKYKKHLJYRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-10-8-13(19-12(10)4-3-6-15)14(17)16(2)11-5-7-18-9-11/h8,11H,5-7,9,15H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide has a molecular weight of 294.45 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(thiolan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 79989635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).