1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride

C10H16Cl2N2OS — CID 154878891

IUPAC1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride
SMILESCl.Cl.[H]N=S1(=O)CCNC(c2ccccc2)C1
InChIInChI=1S/C10H14N2OS.2ClH/c11-14(13)7-6-12-10(8-14)9-4-2-1-3-5-9;;/h1-5,10-12H,6-8H2;2*1H
InChIKeyQWSZTGHNMWYSJY-UHFFFAOYSA-N
MW283.22 g/mol
LogP2.22
Rot. Bonds1

About 1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride

1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride (PubChem CID 154878891) has the molecular formula C10H16Cl2N2OS and a molecular weight of 283.22 g/mol. Its IUPAC name is 1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride.

Molecular Properties

Compound Name1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride
PubChem CID154878891
Molecular FormulaC10H16Cl2N2OS
Molecular Weight283.22 g/mol
Exact Mass282.04
IUPAC Name1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride
SMILESCl.Cl.[H]N=S1(=O)CCNC(c2ccccc2)C1
InChIInChI=1S/C10H14N2OS.2ClH/c11-14(13)7-6-12-10(8-14)9-4-2-1-3-5-9;;/h1-5,10-12H,6-8H2;2*1H
InChIKeyQWSZTGHNMWYSJY-UHFFFAOYSA-N
XLogP2.22
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride?
The IUPAC name of 1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride (CID 154878891) is 1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride.
What is the SMILES notation for 1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride?
The canonical SMILES for 1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride is Cl.Cl.[H]N=S1(=O)CCNC(c2ccccc2)C1.
What is the InChIKey of 1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride?
The InChIKey is QWSZTGHNMWYSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS.2ClH/c11-14(13)7-6-12-10(8-14)9-4-2-1-3-5-9;;/h1-5,10-12H,6-8H2;2*1H.
What are the key properties of 1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride?
1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride has a molecular weight of 283.22 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-3-phenyl-1,4-thiazinane 1-oxide;dihydrochloride is sourced from PubChem (CID 154878891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).