5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide

C18H26N2O4S — CID 70845852

IUPAC5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide
SMILESCc1ccc(CN2CCS(=O)(=O)CC2)cc1C(=O)NC1CCOCC1
InChIInChI=1S/C18H26N2O4S/c1-14-2-3-15(13-20-6-10-25(22,23)11-7-20)12-17(14)18(21)19-16-4-8-24-9-5-16/h2-3,12,16H,4-11,13H2,1H3,(H,19,21)
InChIKeyHGBHMWJFFVEXGU-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.13
Rot. Bonds4

About 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide

5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide (PubChem CID 70845852) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide
PubChem CID70845852
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide
SMILESCc1ccc(CN2CCS(=O)(=O)CC2)cc1C(=O)NC1CCOCC1
InChIInChI=1S/C18H26N2O4S/c1-14-2-3-15(13-20-6-10-25(22,23)11-7-20)12-17(14)18(21)19-16-4-8-24-9-5-16/h2-3,12,16H,4-11,13H2,1H3,(H,19,21)
InChIKeyHGBHMWJFFVEXGU-UHFFFAOYSA-N
XLogP1.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide
CID 70845853
2-methyl-N-(1-methylpiperidin-4-yl)-5-(morpholin-4-ylmethyl)benzamide
CID 70846032
2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide
CID 70845928
5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide
CID 70845942
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide
CID 70845924
1-[2-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(oxan-4-yl)ethanone
CID 157306935
2-methyl-5-(morpholin-4-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 70846212
N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 67106005
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,5-dimethylbenzamide
CID 91761634
N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 110009371
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide (CID 70845852) is 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide is Cc1ccc(CN2CCS(=O)(=O)CC2)cc1C(=O)NC1CCOCC1.
What is the InChIKey of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is HGBHMWJFFVEXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-2-3-15(13-20-6-10-25(22,23)11-7-20)12-17(14)18(21)19-16-4-8-24-9-5-16/h2-3,12,16H,4-11,13H2,1H3,(H,19,21).
What are the key properties of 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide?
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide has a molecular weight of 366.48 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 70845852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).