(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone

C15H28N2O3S — CID 90971025

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone
SMILESCCC(C)(C)C1CCCCN1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H28N2O3S/c1-4-15(2,3)13-7-5-6-8-17(13)14(18)16-9-11-21(19,20)12-10-16/h13H,4-12H2,1-3H3
InChIKeyAFCFMAFQIOMMRE-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.13
Rot. Bonds2

About (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone (PubChem CID 90971025) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone
PubChem CID90971025
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone
SMILESCCC(C)(C)C1CCCCN1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H28N2O3S/c1-4-15(2,3)13-7-5-6-8-17(13)14(18)16-9-11-21(19,20)12-10-16/h13H,4-12H2,1-3H3
InChIKeyAFCFMAFQIOMMRE-UHFFFAOYSA-N
XLogP2.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone (CID 90971025) is (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone is CCC(C)(C)C1CCCCN1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone?
The InChIKey is AFCFMAFQIOMMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-4-15(2,3)13-7-5-6-8-17(13)14(18)16-9-11-21(19,20)12-10-16/h13H,4-12H2,1-3H3.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone has a molecular weight of 316.47 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-[2-(2-methylbutan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90971025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).