2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride

C6H16Cl2N2O2S — CID 43810718

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H14N2O2S.2ClH/c7-1-2-8-3-5-11(9,10)6-4-8;;/h1-7H2;2*1H
InChIKeyVEEGGSIXQDYQMN-UHFFFAOYSA-N
MW251.18 g/mol
LogP-0.48
Rot. Bonds2

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride

2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride (PubChem CID 43810718) has the molecular formula C6H16Cl2N2O2S and a molecular weight of 251.18 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride
PubChem CID43810718
Molecular FormulaC6H16Cl2N2O2S
Molecular Weight251.18 g/mol
Exact Mass250.03
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H14N2O2S.2ClH/c7-1-2-8-3-5-11(9,10)6-4-8;;/h1-7H2;2*1H
InChIKeyVEEGGSIXQDYQMN-UHFFFAOYSA-N
XLogP-0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride (CID 43810718) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride is Cl.Cl.NCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride?
The InChIKey is VEEGGSIXQDYQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.2ClH/c7-1-2-8-3-5-11(9,10)6-4-8;;/h1-7H2;2*1H.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride?
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride has a molecular weight of 251.18 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 43810718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).