3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide

C15H22N2O4S — CID 110306771

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C15H22N2O4S/c1-15(2,19)11-16-14(18)12-6-5-7-13(10-12)17-8-3-4-9-22(17,20)21/h5-7,10,19H,3-4,8-9,11H2,1-2H3,(H,16,18)
InChIKeyVRSRVROPHMPZBR-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.12
Rot. Bonds4

About 3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide

3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 110306771) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID110306771
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C15H22N2O4S/c1-15(2,19)11-16-14(18)12-6-5-7-13(10-12)17-8-3-4-9-22(17,20)21/h5-7,10,19H,3-4,8-9,11H2,1-2H3,(H,16,18)
InChIKeyVRSRVROPHMPZBR-UHFFFAOYSA-N
XLogP1.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 47019703
3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 7685970
3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide
CID 110301682
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 7659003
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 132664679
3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 7686029
N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119408150
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
2-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241903
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide (CID 110306771) is 3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide is CC(C)(O)CNC(=O)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is VRSRVROPHMPZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-15(2,19)11-16-14(18)12-6-5-7-13(10-12)17-8-3-4-9-22(17,20)21/h5-7,10,19H,3-4,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide?
3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 326.42 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 110306771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).