5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide

C15H20N2O2S — CID 61433401

IUPAC5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C15H20N2O2S/c1-17(11-12-5-2-3-10-19-12)15(18)14-8-7-13(20-14)6-4-9-16/h7-8,12H,2-3,5,9-11,16H2,1H3
InChIKeyKYHVFAXDTXNOAN-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.70
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 61433401) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID61433401
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C15H20N2O2S/c1-17(11-12-5-2-3-10-19-12)15(18)14-8-7-13(20-14)6-4-9-16/h7-8,12H,2-3,5,9-11,16H2,1H3
InChIKeyKYHVFAXDTXNOAN-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 55013246
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 63799691
5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 61217701
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79990324
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
N-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55218707
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
2-hydroxy-N,5-dimethyl-N-(oxan-2-ylmethyl)benzamide
CID 47344741
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide (CID 61433401) is 5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide is CN(CC1CCCCO1)C(=O)c1ccc(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is KYHVFAXDTXNOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-17(11-12-5-2-3-10-19-12)15(18)14-8-7-13(20-14)6-4-9-16/h7-8,12H,2-3,5,9-11,16H2,1H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 1.70, 3 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-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61433401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).