[3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone

C16H22N2O4S — CID 110309764

IUPAC[3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C16H22N2O4S/c1-13-12-22-9-8-17(13)16(19)14-5-4-6-15(11-14)18-7-2-3-10-23(18,20)21/h4-6,11,13H,2-3,7-10,12H2,1H3
InChIKeyBJBIDCAYRWHHLF-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.48
Rot. Bonds2

About [3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone

[3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone (PubChem CID 110309764) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is [3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
PubChem CID110309764
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name[3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C16H22N2O4S/c1-13-12-22-9-8-17(13)16(19)14-5-4-6-15(11-14)18-7-2-3-10-23(18,20)21/h4-6,11,13H,2-3,7-10,12H2,1H3
InChIKeyBJBIDCAYRWHHLF-UHFFFAOYSA-N
XLogP1.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110309760
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 7686080
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
1-[3-(3-methylmorpholine-4-carbonyl)phenyl]imidazolidin-2-one
CID 51087000
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 44900852
N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354676
1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide
CID 7686132
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 51473315
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 7659007
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 51319088
ethyl 4-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperazine-1-carboxylate
CID 7685998
(3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone
CID 110614469

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of [3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone (CID 110309764) is [3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for [3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of [3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone?
The InChIKey is BJBIDCAYRWHHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-13-12-22-9-8-17(13)16(19)14-5-4-6-15(11-14)18-7-2-3-10-23(18,20)21/h4-6,11,13H,2-3,7-10,12H2,1H3.
What are the key properties of [3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone?
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone has a molecular weight of 338.43 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 110309764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).