5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide

C15H21N3O2S — CID 114401081

IUPAC5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
SMILESCCN1CCOC(CNC(=O)c2ccc(C#CCN)s2)C1
InChIInChI=1S/C15H21N3O2S/c1-2-18-8-9-20-12(11-18)10-17-15(19)14-6-5-13(21-14)4-3-7-16/h5-6,12H,2,7-11,16H2,1H3,(H,17,19)
InChIKeyBTBMJSHHXXQIII-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.51
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 114401081) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID114401081
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
SMILESCCN1CCOC(CNC(=O)c2ccc(C#CCN)s2)C1
InChIInChI=1S/C15H21N3O2S/c1-2-18-8-9-20-12(11-18)10-17-15(19)14-6-5-13(21-14)4-3-7-16/h5-6,12H,2,7-11,16H2,1H3,(H,17,19)
InChIKeyBTBMJSHHXXQIII-UHFFFAOYSA-N
XLogP0.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 55013246
[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2-ethylmorpholin-4-yl)methanone
CID 61074607
4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
CID 115629840
5-(3-aminoprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 61075848
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
CID 114398978
5-(3-aminoprop-1-ynyl)-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
CID 106326823
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 114400020
N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 115869037
5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 61433401
3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114398949
3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114399696
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide (CID 114401081) is 5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide is CCN1CCOC(CNC(=O)c2ccc(C#CCN)s2)C1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is BTBMJSHHXXQIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-18-8-9-20-12(11-18)10-17-15(19)14-6-5-13(21-14)4-3-7-16/h5-6,12H,2,7-11,16H2,1H3,(H,17,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 114401081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).