4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide

C14H22N2O2S — CID 106011910

IUPAC4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2(CN)CCOCC2)s1
InChIInChI=1S/C14H22N2O2S/c1-2-11-3-4-12(19-11)9-16-13(17)14(10-15)5-7-18-8-6-14/h3-4H,2,5-10,15H2,1H3,(H,16,17)
InChIKeySHCPZRXBXFRDLH-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.68
Rot. Bonds5

About 4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide (PubChem CID 106011910) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide
PubChem CID106011910
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2(CN)CCOCC2)s1
InChIInChI=1S/C14H22N2O2S/c1-2-11-3-4-12(19-11)9-16-13(17)14(10-15)5-7-18-8-6-14/h3-4H,2,5-10,15H2,1H3,(H,16,17)
InChIKeySHCPZRXBXFRDLH-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120922244
4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120925200
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]oxane-4-carboxamide
CID 107231196
4-(aminomethyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]oxane-4-carboxamide
CID 120938252
N-[(5-ethylthiophen-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907354
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide
CID 106390797
4-(aminomethyl)-N-(thiophen-3-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120923213
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide
CID 115437904
4-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]oxane-4-carboxamide
CID 115439740

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide (CID 106011910) is 4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide is CCc1ccc(CNC(=O)C2(CN)CCOCC2)s1.
What is the InChIKey of 4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide?
The InChIKey is SHCPZRXBXFRDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-11-3-4-12(19-11)9-16-13(17)14(10-15)5-7-18-8-6-14/h3-4H,2,5-10,15H2,1H3,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 106011910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).