(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride

C16H23ClN2O2S — CID 119757300

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)N1CCOC(c2cccs2)C1
InChIInChI=1S/C16H22N2O2S.ClH/c17-15-11-4-3-10(8-11)14(15)16(19)18-5-6-20-12(9-18)13-2-1-7-21-13;/h1-2,7,10-12,14-15H,3-6,8-9,17H2;1H
InChIKeySIUAVJLMYPTQEJ-UHFFFAOYSA-N
MW342.89 g/mol
LogP2.44
Rot. Bonds2

About (3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride

(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride (PubChem CID 119757300) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
PubChem CID119757300
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)N1CCOC(c2cccs2)C1
InChIInChI=1S/C16H22N2O2S.ClH/c17-15-11-4-3-10(8-11)14(15)16(19)18-5-6-20-12(9-18)13-2-1-7-21-13;/h1-2,7,10-12,14-15H,3-6,8-9,17H2;1H
InChIKeySIUAVJLMYPTQEJ-UHFFFAOYSA-N
XLogP2.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride with MolForge

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-phenylmorpholin-4-yl)methanone
CID 119703767
(3-aminocyclopentyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757298
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 119874237
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone
CID 119769794
[4-(aminomethyl)phenyl]-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119308311
morpholin-3-yl-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757292
morpholin-3-yl-(2-thiophen-2-ylmorpholin-4-yl)methanone
CID 119757293
2-(cyclopropylmethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone
CID 119757315
2-(methylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757306
2-thiophen-2-ylmorpholin-4-amine
CID 82280994
2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 120668000
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 119793015

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride (CID 119757300) is (3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)N1CCOC(c2cccs2)C1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride?
The InChIKey is SIUAVJLMYPTQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S.ClH/c17-15-11-4-3-10(8-11)14(15)16(19)18-5-6-20-12(9-18)13-2-1-7-21-13;/h1-2,7,10-12,14-15H,3-6,8-9,17H2;1H.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride?
(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride has a molecular weight of 342.89 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119757300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).