4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride

C13H21ClN2O2S — CID 120922244

IUPAC4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
SMILESCc1ccc(CNC(=O)C2(CN)CCOCC2)s1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-10-2-3-11(18-10)8-15-12(16)13(9-14)4-6-17-7-5-13;/h2-3H,4-9,14H2,1H3,(H,15,16);1H
InChIKeyRLXPKVQZXLZZCJ-UHFFFAOYSA-N
MW304.84 g/mol
LogP1.85
Rot. Bonds4

About 4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120922244) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
PubChem CID120922244
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
SMILESCc1ccc(CNC(=O)C2(CN)CCOCC2)s1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-10-2-3-11(18-10)8-15-12(16)13(9-14)4-6-17-7-5-13;/h2-3H,4-9,14H2,1H3,(H,15,16);1H
InChIKeyRLXPKVQZXLZZCJ-UHFFFAOYSA-N
XLogP1.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride (CID 120922244) is 4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride is Cc1ccc(CNC(=O)C2(CN)CCOCC2)s1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is RLXPKVQZXLZZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-10-2-3-11(18-10)8-15-12(16)13(9-14)4-6-17-7-5-13;/h2-3H,4-9,14H2,1H3,(H,15,16);1H.
What are the key properties of 4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120922244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).