2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine

C7H16N2O2S — CID 20747445

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine
SMILESCNCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O2S/c1-8-2-3-9-4-6-12(10,11)7-5-9/h8H,2-7H2,1H3
InChIKeyADEUFYBFQMNHPP-UHFFFAOYSA-N
MW192.28 g/mol
LogP-1.06
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine (PubChem CID 20747445) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine
PubChem CID20747445
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine
SMILESCNCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C7H16N2O2S/c1-8-2-3-9-4-6-12(10,11)7-5-9/h8H,2-7H2,1H3
InChIKeyADEUFYBFQMNHPP-UHFFFAOYSA-N
XLogP-1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-1.06
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)-N-methylethanamine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine (CID 20747445) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine is CNCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine?
The InChIKey is ADEUFYBFQMNHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-8-2-3-9-4-6-12(10,11)7-5-9/h8H,2-7H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylethanamine has a molecular weight of 192.28 g/mol, XLogP of -1.06, 3 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)-N-methylethanamine is sourced from PubChem (CID 20747445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).