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

C9H20N2O2S — CID 142030242

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-3-10(2)4-5-11-6-8-14(12,13)9-7-11/h3-9H2,1-2H3
InChIKeyKGRQOQDRPAQIEQ-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.33
Rot. Bonds4

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

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-methylethanamine (PubChem CID 142030242) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-methylethanamine
PubChem CID142030242
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-3-10(2)4-5-11-6-8-14(12,13)9-7-11/h3-9H2,1-2H3
InChIKeyKGRQOQDRPAQIEQ-UHFFFAOYSA-N
XLogP-0.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
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-ethyl-N-methylethanamine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-methylethanamine (CID 142030242) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-methylethanamine is CCN(C)CCN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-methylethanamine?
The InChIKey is KGRQOQDRPAQIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-10(2)4-5-11-6-8-14(12,13)9-7-11/h3-9H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-methylethanamine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-methylethanamine has a molecular weight of 220.34 g/mol, XLogP of -0.33, 4 rotatable bonds, 0 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-ethyl-N-methylethanamine is sourced from PubChem (CID 142030242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).