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

C14H18N2O2S — CID 55013246

IUPAC5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NCC2CCCCO2)s1
InChIInChI=1S/C14H18N2O2S/c15-8-3-5-12-6-7-13(19-12)14(17)16-10-11-4-1-2-9-18-11/h6-7,11H,1-2,4,8-10,15H2,(H,16,17)
InChIKeyTYJHIAGYVSHULN-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.36
Rot. Bonds3

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

5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 55013246) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID55013246
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NCC2CCCCO2)s1
InChIInChI=1S/C14H18N2O2S/c15-8-3-5-12-6-7-13(19-12)14(17)16-10-11-4-1-2-9-18-11/h6-7,11H,1-2,4,8-10,15H2,(H,16,17)
InChIKeyTYJHIAGYVSHULN-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
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-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 61433401
5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 82171991
3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 107524152
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentyloxyethyl)thiophene-2-carboxamide
CID 63834263
5-(3-aminoprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 61075844
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
5-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102907704
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide
CID 61075649
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide
CID 64733139
2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide
CID 106000492
4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 25402358

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide (CID 55013246) is 5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide is NCC#Cc1ccc(C(=O)NCC2CCCCO2)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is TYJHIAGYVSHULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c15-8-3-5-12-6-7-13(19-12)14(17)16-10-11-4-1-2-9-18-11/h6-7,11H,1-2,4,8-10,15H2,(H,16,17).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 55013246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).