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

C6H16Cl2N2OS — CID 54595991

IUPAC2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CCS(=O)CC1
InChIInChI=1S/C6H14N2OS.2ClH/c7-1-2-8-3-5-10(9)6-4-8;;/h1-7H2;2*1H
InChIKeyFBBPFOCASNKIAF-UHFFFAOYSA-N
MW235.18 g/mol
LogP-0.15
Rot. Bonds2

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

2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride (PubChem CID 54595991) has the molecular formula C6H16Cl2N2OS and a molecular weight of 235.18 g/mol. Its IUPAC name is 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride
PubChem CID54595991
Molecular FormulaC6H16Cl2N2OS
Molecular Weight235.18 g/mol
Exact Mass234.04
IUPAC Name2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CCS(=O)CC1
InChIInChI=1S/C6H14N2OS.2ClH/c7-1-2-8-3-5-10(9)6-4-8;;/h1-7H2;2*1H
InChIKeyFBBPFOCASNKIAF-UHFFFAOYSA-N
XLogP-0.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride (CID 54595991) is 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride is Cl.Cl.NCCN1CCS(=O)CC1.
What is the InChIKey of 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride?
The InChIKey is FBBPFOCASNKIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS.2ClH/c7-1-2-8-3-5-10(9)6-4-8;;/h1-7H2;2*1H.
What are the key properties of 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride?
2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride has a molecular weight of 235.18 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 54595991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).