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

C16H22N2O4S — CID 110309760

IUPAC[4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C16H22N2O4S/c1-13-12-22-10-9-17(13)16(19)14-4-6-15(7-5-14)18-8-2-3-11-23(18,20)21/h4-7,13H,2-3,8-12H2,1H3
InChIKeyLIZYOOKLIBHCOS-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.48
Rot. Bonds2

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

[4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone (PubChem CID 110309760) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is [4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
PubChem CID110309760
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name[4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C16H22N2O4S/c1-13-12-22-10-9-17(13)16(19)14-4-6-15(7-5-14)18-8-2-3-11-23(18,20)21/h4-7,13H,2-3,8-12H2,1H3
InChIKeyLIZYOOKLIBHCOS-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

[3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110309764
(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 47168279
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide
CID 110604977
cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone
CID 110631087
[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 119293249
(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 43429048
1H-indol-5-yl-(3-methylmorpholin-4-yl)methanone
CID 63717142
[4-(1,1-dioxothiazinan-2-yl)phenyl]-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 5307516
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 47174328
methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate
CID 7685654
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110619227

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of [4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone (CID 110309760) is [4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for [4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of [4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone?
The InChIKey is LIZYOOKLIBHCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-13-12-22-10-9-17(13)16(19)14-4-6-15(7-5-14)18-8-2-3-11-23(18,20)21/h4-7,13H,2-3,8-12H2,1H3.
What are the key properties of [4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone?
[4-(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 [4-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 110309760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).