3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide

C15H20N2O2S — CID 63801465

IUPAC3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
SMILESCN(CC1CCCOC1)C(=O)c1sccc1C#CCN
InChIInChI=1S/C15H20N2O2S/c1-17(10-12-4-3-8-19-11-12)15(18)14-13(5-2-7-16)6-9-20-14/h6,9,12H,3-4,7-8,10-11,16H2,1H3
InChIKeyITJZLXZRBJKLKF-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.56
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 63801465) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
PubChem CID63801465
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
SMILESCN(CC1CCCOC1)C(=O)c1sccc1C#CCN
InChIInChI=1S/C15H20N2O2S/c1-17(10-12-4-3-8-19-11-12)15(18)14-13(5-2-7-16)6-9-20-14/h6,9,12H,3-4,7-8,10-11,16H2,1H3
InChIKeyITJZLXZRBJKLKF-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.56
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

3-bromo-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
CID 63717719
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 63799691
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 55238418
5-iodo-N-methyl-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 78950078
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
CID 107030003
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63706871
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide
CID 63799003
3-(3-aminoprop-1-ynyl)-N-butan-2-yl-N-methylthiophene-2-carboxamide
CID 63801444

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide (CID 63801465) is 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide is CN(CC1CCCOC1)C(=O)c1sccc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is ITJZLXZRBJKLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-17(10-12-4-3-8-19-11-12)15(18)14-13(5-2-7-16)6-9-20-14/h6,9,12H,3-4,7-8,10-11,16H2,1H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 63801465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).