1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide

C9H13ClN4OS — CID 167267178

IUPAC1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide
SMILESCN1CCS(=O)(=Nc2cnc(Cl)cn2)CC1
InChIInChI=1S/C9H13ClN4OS/c1-14-2-4-16(15,5-3-14)13-9-7-11-8(10)6-12-9/h6-7H,2-5H2,1H3
InChIKeyWCQNAQIBVCAYPY-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.17
Rot. Bonds1

About 1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide

1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide (PubChem CID 167267178) has the molecular formula C9H13ClN4OS and a molecular weight of 260.75 g/mol. Its IUPAC name is 1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide
PubChem CID167267178
Molecular FormulaC9H13ClN4OS
Molecular Weight260.75 g/mol
Exact Mass260.05
IUPAC Name1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide
SMILESCN1CCS(=O)(=Nc2cnc(Cl)cn2)CC1
InChIInChI=1S/C9H13ClN4OS/c1-14-2-4-16(15,5-3-14)13-9-7-11-8(10)6-12-9/h6-7H,2-5H2,1H3
InChIKeyWCQNAQIBVCAYPY-UHFFFAOYSA-N
XLogP1.17
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide (CID 167267178) is 1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide is CN1CCS(=O)(=Nc2cnc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide?
The InChIKey is WCQNAQIBVCAYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4OS/c1-14-2-4-16(15,5-3-14)13-9-7-11-8(10)6-12-9/h6-7H,2-5H2,1H3.
What are the key properties of 1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide?
1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide has a molecular weight of 260.75 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyrazin-2-yl)imino-4-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 167267178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).