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

C6H14N2OS — CID 24728621

IUPAC2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
SMILESNCCN1CCS(=O)CC1
InChIInChI=1S/C6H14N2OS/c7-1-2-8-3-5-10(9)6-4-8/h1-7H2
InChIKeyPRZDBNBUEAQECP-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.99
Rot. Bonds2

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

2-(1-oxo-1,4-thiazinan-4-yl)ethanamine (PubChem CID 24728621) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
PubChem CID24728621
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
SMILESNCCN1CCS(=O)CC1
InChIInChI=1S/C6H14N2OS/c7-1-2-8-3-5-10(9)6-4-8/h1-7H2
InChIKeyPRZDBNBUEAQECP-UHFFFAOYSA-N
XLogP-0.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiomorpholine 1-oxide
CID 12600299
4-(2-Aminoethyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2760618
2-(Thiomorpholin-4-yl)ethan-1-amine
CID 2773200
1Lambda4-thiomorpholin-1-one hydrochloride
CID 20441479
4-(2-Aminoethyl)thiomorpholine 1,1-dioxide dihydrochloride
CID 43810718
1-Imino-1lambda6-thiomorpholin-1-one
CID 68485905
4-(2-Aminoethyl)-1lambda4-thiomorpholin-1-one dihydrochloride
CID 54595991
1-(Methylimino)-1lambda6-thiomorpholin-1-one
CID 117822109
1-(2-Methanesulfinylethyl)piperazine
CID 51342128
2,2,2-trifluoro-N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]ethanamine
CID 62554891
4-(2-Aminoethyl)-1
CID 2760617
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine
CID 20747445

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine?
The IUPAC name of 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine (CID 24728621) is 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine.
What is the SMILES notation for 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine?
The canonical SMILES for 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine is NCCN1CCS(=O)CC1.
What is the InChIKey of 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine?
The InChIKey is PRZDBNBUEAQECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c7-1-2-8-3-5-10(9)6-4-8/h1-7H2.
What are the key properties of 2-(1-oxo-1,4-thiazinan-4-yl)ethanamine?
2-(1-oxo-1,4-thiazinan-4-yl)ethanamine has a molecular weight of 162.26 g/mol, XLogP of -0.99, 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 is sourced from PubChem (CID 24728621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).