4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide

C13H20N2O2S — CID 113310086

IUPAC4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
SMILESCC(NC(=O)C1(CN)CCOCC1)c1cccs1
InChIInChI=1S/C13H20N2O2S/c1-10(11-3-2-8-18-11)15-12(16)13(9-14)4-6-17-7-5-13/h2-3,8,10H,4-7,9,14H2,1H3,(H,15,16)
InChIKeyNUPNOFHCAXXMGZ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.68
Rot. Bonds4

About 4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide

4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide (PubChem CID 113310086) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
PubChem CID113310086
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
SMILESCC(NC(=O)C1(CN)CCOCC1)c1cccs1
InChIInChI=1S/C13H20N2O2S/c1-10(11-3-2-8-18-11)15-12(16)13(9-14)4-6-17-7-5-13/h2-3,8,10H,4-7,9,14H2,1H3,(H,15,16)
InChIKeyNUPNOFHCAXXMGZ-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892097
4-(aminomethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115439757
4-(aminomethyl)-N-[1-(2-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918974
4-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918857
4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide
CID 115439767
4-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439459
4-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439766
4-(aminomethyl)-N-(1-naphthalen-1-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120919076
4-(aminomethyl)-N-[1-(3,5-dimethylphenyl)ethyl]oxane-4-carboxamide
CID 120931700
1-(aminomethyl)-N-(1-thiophen-2-ylbutyl)cyclopentane-1-carboxamide
CID 115435212
4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120921735
4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide
CID 115439164

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide (CID 113310086) is 4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide is CC(NC(=O)C1(CN)CCOCC1)c1cccs1.
What is the InChIKey of 4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide?
The InChIKey is NUPNOFHCAXXMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(11-3-2-8-18-11)15-12(16)13(9-14)4-6-17-7-5-13/h2-3,8,10H,4-7,9,14H2,1H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 113310086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).