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

C6H14N2O2S — CID 2760618

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
SMILESNCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H14N2O2S/c7-1-2-8-3-5-11(9,10)6-4-8/h1-7H2
InChIKeyNICIHZYGEQHDPN-UHFFFAOYSA-N
MW178.26 g/mol
LogP-1.32
Rot. Bonds2

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

2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine (PubChem CID 2760618) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
PubChem CID2760618
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
SMILESNCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H14N2O2S/c7-1-2-8-3-5-11(9,10)6-4-8/h1-7H2
InChIKeyNICIHZYGEQHDPN-UHFFFAOYSA-N
XLogP-1.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-1.32
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?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine (CID 2760618) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine is NCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
The InChIKey is NICIHZYGEQHDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c7-1-2-8-3-5-11(9,10)6-4-8/h1-7H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine has a molecular weight of 178.26 g/mol, XLogP of -1.32, 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 is sourced from PubChem (CID 2760618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).