4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride

C13H20BrClN2O2S — CID 120920693

IUPAC4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCCc2ccc(Br)s2)CCOCC1
InChIInChI=1S/C13H19BrN2O2S.ClH/c14-11-2-1-10(19-11)3-6-16-12(17)13(9-15)4-7-18-8-5-13;/h1-2H,3-9,15H2,(H,16,17);1H
InChIKeyGLAZXNRJQFRWKF-UHFFFAOYSA-N
MW383.74 g/mol
LogP2.35
Rot. Bonds5

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

4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120920693) has the molecular formula C13H20BrClN2O2S and a molecular weight of 383.74 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride
PubChem CID120920693
Molecular FormulaC13H20BrClN2O2S
Molecular Weight383.74 g/mol
Exact Mass382.01
IUPAC Name4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCCc2ccc(Br)s2)CCOCC1
InChIInChI=1S/C13H19BrN2O2S.ClH/c14-11-2-1-10(19-11)3-6-16-12(17)13(9-15)4-7-18-8-5-13;/h1-2H,3-9,15H2,(H,16,17);1H
InChIKeyGLAZXNRJQFRWKF-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.74
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120925200
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120922301
N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907117
1-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cycloheptane-1-carboxamide
CID 106047919
4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120922244
4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide
CID 106011910
1-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115441792
4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide
CID 120921537
4-(aminomethyl)-N-[3-(4-bromoanilino)-3-oxopropyl]oxane-4-carboxamide;hydrochloride
CID 120926410
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120917677
4-(aminomethyl)-N-[3-(4-bromoanilino)-3-oxopropyl]oxane-4-carboxamide
CID 120926411
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxane-4-carboxamide
CID 106104420

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride (CID 120920693) is 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NCCc2ccc(Br)s2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is GLAZXNRJQFRWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S.ClH/c14-11-2-1-10(19-11)3-6-16-12(17)13(9-15)4-7-18-8-5-13;/h1-2H,3-9,15H2,(H,16,17);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 383.74 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120920693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).