(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone

C10H19N3O3S — CID 102883594

IUPAC(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone
SMILESCC1CS(=O)(=O)CCN1C(=O)C1CNCCN1
InChIInChI=1S/C10H19N3O3S/c1-8-7-17(15,16)5-4-13(8)10(14)9-6-11-2-3-12-9/h8-9,11-12H,2-7H2,1H3
InChIKeyPMIXKBKLKCADKX-UHFFFAOYSA-N
MW261.35 g/mol
LogP-1.81
Rot. Bonds1

About (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone

(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone (PubChem CID 102883594) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone
PubChem CID102883594
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone
SMILESCC1CS(=O)(=O)CCN1C(=O)C1CNCCN1
InChIInChI=1S/C10H19N3O3S/c1-8-7-17(15,16)5-4-13(8)10(14)9-6-11-2-3-12-9/h8-9,11-12H,2-7H2,1H3
InChIKeyPMIXKBKLKCADKX-UHFFFAOYSA-N
XLogP-1.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-1.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone?
The IUPAC name of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone (CID 102883594) is (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone.
What is the SMILES notation for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone?
The canonical SMILES for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone is CC1CS(=O)(=O)CCN1C(=O)C1CNCCN1.
What is the InChIKey of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone?
The InChIKey is PMIXKBKLKCADKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-8-7-17(15,16)5-4-13(8)10(14)9-6-11-2-3-12-9/h8-9,11-12H,2-7H2,1H3.
What are the key properties of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone?
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone has a molecular weight of 261.35 g/mol, XLogP of -1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone is sourced from PubChem (CID 102883594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).