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

C12H22N2O3S — CID 102883074

IUPAC(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCS(=O)(=O)CC2C)CC1
InChIInChI=1S/C12H22N2O3S/c1-10-3-5-13(6-4-10)12(15)14-7-8-18(16,17)9-11(14)2/h10-11H,3-9H2,1-2H3
InChIKeyPVTDFMXDEXJDSN-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.96
Rot. Bonds

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

(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 102883074) 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)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID102883074
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCS(=O)(=O)CC2C)CC1
InChIInChI=1S/C12H22N2O3S/c1-10-3-5-13(6-4-10)12(15)14-7-8-18(16,17)9-11(14)2/h10-11H,3-9H2,1-2H3
InChIKeyPVTDFMXDEXJDSN-UHFFFAOYSA-N
XLogP0.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide
CID 71868246
(2-Tert-butylpiperidin-1-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 58563742
(3-Tert-butylpiperidin-1-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 58563981
(1,1-Dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 71167427
(1,1-Dioxo-1,4-thiazinan-4-yl)-piperidin-1-ylmethanone
CID 90687773
(1,1-Dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone
CID 90971025
(1,1-Dioxo-1,4-thiazinan-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 116654342
(1,1-Dioxo-1,4-thiazinan-4-yl)-(2-methylpiperidin-1-yl)methanone
CID 117710733
(2-Methylpiperidin-1-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 117710774
(1,1-Dioxo-1,4-thiazinan-4-yl)-(3-ethylpiperidin-1-yl)methanone
CID 128140590
(1,1-Dioxo-1,4-thiazinan-4-yl)-(2-propan-2-ylpiperidin-1-yl)methanone
CID 128140932
ethane;N,N,4-trimethyl-1-thia-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 166115079

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone (CID 102883074) is (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)N2CCS(=O)(=O)CC2C)CC1.
What is the InChIKey of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is PVTDFMXDEXJDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-10-3-5-13(6-4-10)12(15)14-7-8-18(16,17)9-11(14)2/h10-11H,3-9H2,1-2H3.
What are the key properties of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone?
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 274.39 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102883074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).