5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

C11H16N2O2S — CID 82171991

IUPAC5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESNCc1ccc(C(=O)NCC2CCCO2)s1
InChIInChI=1S/C11H16N2O2S/c12-6-9-3-4-10(16-9)11(14)13-7-8-2-1-5-15-8/h3-4,8H,1-2,5-7,12H2,(H,13,14)
InChIKeyXLVZMVZQAWFXSB-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.12
Rot. Bonds4

About 5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 82171991) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID82171991
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESNCc1ccc(C(=O)NCC2CCCO2)s1
InChIInChI=1S/C11H16N2O2S/c12-6-9-3-4-10(16-9)11(14)13-7-8-2-1-5-15-8/h3-4,8H,1-2,5-7,12H2,(H,13,14)
InChIKeyXLVZMVZQAWFXSB-UHFFFAOYSA-N
XLogP1.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 55013246
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 25402358
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-carboxamide
CID 82172001
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide
CID 63574396
N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide
CID 90613141
4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide
CID 17174245
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (CID 82171991) is 5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is NCc1ccc(C(=O)NCC2CCCO2)s1.
What is the InChIKey of 5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is XLVZMVZQAWFXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-6-9-3-4-10(16-9)11(14)13-7-8-2-1-5-15-8/h3-4,8H,1-2,5-7,12H2,(H,13,14).
What are the key properties of 5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 82171991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).