(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone

C12H22N2O3S — CID 102883606

IUPAC(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone
SMILESCC1CCCC(C(=O)N2CCS(=O)(=O)CC2C)N1
InChIInChI=1S/C12H22N2O3S/c1-9-4-3-5-11(13-9)12(15)14-6-7-18(16,17)8-10(14)2/h9-11,13H,3-8H2,1-2H3
InChIKeyPHGUUMZBLFUBCX-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.16
Rot. Bonds1

About (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone

(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone (PubChem CID 102883606) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone
PubChem CID102883606
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone
SMILESCC1CCCC(C(=O)N2CCS(=O)(=O)CC2C)N1
InChIInChI=1S/C12H22N2O3S/c1-9-4-3-5-11(13-9)12(15)14-6-7-18(16,17)8-10(14)2/h9-11,13H,3-8H2,1-2H3
InChIKeyPHGUUMZBLFUBCX-UHFFFAOYSA-N
XLogP0.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-Dioxidothiomorpholino)azepan-2-one
CID 2806252
1-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-2-carboxamide
CID 56789827
1-(2,6-Dimethylpiperidin-1-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 72004899
(2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide
CID 95144095
(3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propan-2-ylpiperidin-2-one
CID 129397448
(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one
CID 164629712
(3-Methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 102883596
1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiane-2-carboxamide
CID 104518305
(1,1-Dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908656
1-[(1,1-Dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one
CID 20589678
1-[(1,1-Dioxothian-2-yl)methyl]-3-(methylamino)azepan-2-one
CID 22984603
1-[(1,1-Dioxothian-2-yl)methyl]-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 22984609

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone?
The IUPAC name of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone (CID 102883606) is (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone?
The canonical SMILES for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone is CC1CCCC(C(=O)N2CCS(=O)(=O)CC2C)N1.
What is the InChIKey of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone?
The InChIKey is PHGUUMZBLFUBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-9-4-3-5-11(13-9)12(15)14-6-7-18(16,17)8-10(14)2/h9-11,13H,3-8H2,1-2H3.
What are the key properties of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone?
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone has a molecular weight of 274.39 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 102883606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).