2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one

C16H22N2O2S — CID 11998445

IUPAC2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one
SMILESO=C1CC2(CCCCC2)Cc2nc(N3CCOCC3)sc21
InChIInChI=1S/C16H22N2O2S/c19-13-11-16(4-2-1-3-5-16)10-12-14(13)21-15(17-12)18-6-8-20-9-7-18/h1-11H2
InChIKeyZIOTVWCDRNZWHJ-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.06
Rot. Bonds1

About 2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one

2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one (PubChem CID 11998445) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one
PubChem CID11998445
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one
SMILESO=C1CC2(CCCCC2)Cc2nc(N3CCOCC3)sc21
InChIInChI=1S/C16H22N2O2S/c19-13-11-16(4-2-1-3-5-16)10-12-14(13)21-15(17-12)18-6-8-20-9-7-18/h1-11H2
InChIKeyZIOTVWCDRNZWHJ-UHFFFAOYSA-N
XLogP3.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CID 622262
N-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl)-2-piperidin-1-yl-acetamide
CID 741972
2-morpholino-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 617191
5,5-dimethyl-2-(piperidin-1-yl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 622000
N-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl)-2-morpholin-4-yl-acetamide
CID 741973
rac-2-morpholino-5-propyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 11998447
rac-5-methyl-2-morpholino-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 11998448
2-(morpholin-4-yl)-6,7-dihydro-4H-spiro[1,3-benzothiazole-5,1''-cyclopentane]-7-one
CID 16081736
2-(diethylamino)-5,5-dimethyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CID 2872481
rac-2-morpholino-5-phenyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 11998444
2-(2-methoxyethylamino)-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 44578037
5,5-Dimethyl-2-(3-methyl-2-oxo-5-propyl-1,3,5-triazinan-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one
CID 13387698

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one?
The IUPAC name of 2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one (CID 11998445) is 2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one.
What is the SMILES notation for 2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one?
The canonical SMILES for 2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one is O=C1CC2(CCCCC2)Cc2nc(N3CCOCC3)sc21.
What is the InChIKey of 2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one?
The InChIKey is ZIOTVWCDRNZWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-13-11-16(4-2-1-3-5-16)10-12-14(13)21-15(17-12)18-6-8-20-9-7-18/h1-11H2.
What are the key properties of 2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one?
2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one has a molecular weight of 306.43 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylspiro[4,6-dihydro-1,3-benzothiazole-5,1'-cyclohexane]-7-one is sourced from PubChem (CID 11998445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).