4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride

C11H17ClN2O2S — CID 120933240

IUPAC4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccsc2)CCOCC1
InChIInChI=1S/C11H16N2O2S.ClH/c12-8-11(2-4-15-5-3-11)10(14)13-9-1-6-16-7-9;/h1,6-7H,2-5,8,12H2,(H,13,14);1H
InChIKeyGARQFLBXVCQEOD-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.86
Rot. Bonds3

About 4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride (PubChem CID 120933240) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride
PubChem CID120933240
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccsc2)CCOCC1
InChIInChI=1S/C11H16N2O2S.ClH/c12-8-11(2-4-15-5-3-11)10(14)13-9-1-6-16-7-9;/h1,6-7H,2-5,8,12H2,(H,13,14);1H
InChIKeyGARQFLBXVCQEOD-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide
CID 115453472
4-(aminomethyl)-N-(thiophen-3-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120923213
1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide
CID 113310541
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide
CID 106435490
1-amino-N-thiophen-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119326724
4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120917475
4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922928
4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120922590
4-(aminomethyl)-N-[3-(methoxymethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120924113
4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide
CID 120941701

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride (CID 120933240) is 4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)Nc2ccsc2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride?
The InChIKey is GARQFLBXVCQEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S.ClH/c12-8-11(2-4-15-5-3-11)10(14)13-9-1-6-16-7-9;/h1,6-7H,2-5,8,12H2,(H,13,14);1H.
What are the key properties of 4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120933240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).