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

C8H18N2O2S — CID 12708260

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-9(2)3-4-10-5-7-13(11,12)8-6-10/h3-8H2,1-2H3
InChIKeyBTNILHAEHPWMPO-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.72
Rot. Bonds3

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

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine (PubChem CID 12708260) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine
PubChem CID12708260
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-9(2)3-4-10-5-7-13(11,12)8-6-10/h3-8H2,1-2H3
InChIKeyBTNILHAEHPWMPO-UHFFFAOYSA-N
XLogP-0.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.72
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,N-dimethylethanamine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine (CID 12708260) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine is CN(C)CCN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine?
The InChIKey is BTNILHAEHPWMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-9(2)3-4-10-5-7-13(11,12)8-6-10/h3-8H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine has a molecular weight of 206.31 g/mol, XLogP of -0.72, 3 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,N-dimethylethanamine is sourced from PubChem (CID 12708260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).