(1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone

C9H17N3O3S — CID 43581374

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H17N3O3S/c13-9(11-3-1-10-2-4-11)12-5-7-16(14,15)8-6-12/h10H,1-8H2
InChIKeyQSMQBOCCCAUXBI-UHFFFAOYSA-N
MW247.32 g/mol
LogP-1.26
Rot. Bonds

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

(1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone (PubChem CID 43581374) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone
PubChem CID43581374
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H17N3O3S/c13-9(11-3-1-10-2-4-11)12-5-7-16(14,15)8-6-12/h10H,1-8H2
InChIKeyQSMQBOCCCAUXBI-UHFFFAOYSA-N
XLogP-1.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone (CID 43581374) is (1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone is O=C(N1CCNCC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone?
The InChIKey is QSMQBOCCCAUXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c13-9(11-3-1-10-2-4-11)12-5-7-16(14,15)8-6-12/h10H,1-8H2.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone has a molecular weight of 247.32 g/mol, XLogP of -1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 43581374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).