1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride

C13H23ClN2O2S — CID 119940248

IUPAC1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
SMILESCl.O=C(CC1CSCCN1)N1CCC2(CCOC2)C1
InChIInChI=1S/C13H22N2O2S.ClH/c16-12(7-11-8-18-6-3-14-11)15-4-1-13(9-15)2-5-17-10-13;/h11,14H,1-10H2;1H
InChIKeyDYKYYUHAFZUNLE-UHFFFAOYSA-N
MW306.86 g/mol
LogP1.14
Rot. Bonds2

About 1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride

1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride (PubChem CID 119940248) has the molecular formula C13H23ClN2O2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
PubChem CID119940248
Molecular FormulaC13H23ClN2O2S
Molecular Weight306.86 g/mol
Exact Mass306.12
IUPAC Name1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
SMILESCl.O=C(CC1CSCCN1)N1CCC2(CCOC2)C1
InChIInChI=1S/C13H22N2O2S.ClH/c16-12(7-11-8-18-6-3-14-11)15-4-1-13(9-15)2-5-17-10-13;/h11,14H,1-10H2;1H
InChIKeyDYKYYUHAFZUNLE-UHFFFAOYSA-N
XLogP1.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119937092
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-[4-(oxan-4-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119942338
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941928
1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119942490
3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid
CID 66421306
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941029
1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119940178
1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422101

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
The IUPAC name of 1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride (CID 119940248) is 1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride.
What is the SMILES notation for 1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
The canonical SMILES for 1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride is Cl.O=C(CC1CSCCN1)N1CCC2(CCOC2)C1.
What is the InChIKey of 1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
The InChIKey is DYKYYUHAFZUNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S.ClH/c16-12(7-11-8-18-6-3-14-11)15-4-1-13(9-15)2-5-17-10-13;/h11,14H,1-10H2;1H.
What are the key properties of 1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride has a molecular weight of 306.86 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-thiomorpholin-3-ylethanone;hydrochloride is sourced from PubChem (CID 119940248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).