2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine

C15H31N3O2S — CID 86794900

IUPAC2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-3-16(4-2)9-10-17-7-5-15(6-8-17)18-11-13-21(19,20)14-12-18/h15H,3-14H2,1-2H3
InChIKeyFEOQVIJFROYJMU-UHFFFAOYSA-N
MW317.50 g/mol
LogP0.52
Rot. Bonds6

About 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine

2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine (PubChem CID 86794900) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine
PubChem CID86794900
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC Name2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-3-16(4-2)9-10-17-7-5-15(6-8-17)18-11-13-21(19,20)14-12-18/h15H,3-14H2,1-2H3
InChIKeyFEOQVIJFROYJMU-UHFFFAOYSA-N
XLogP0.52
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine (CID 86794900) is 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine is CCN(CC)CCN1CCC(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine?
The InChIKey is FEOQVIJFROYJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-3-16(4-2)9-10-17-7-5-15(6-8-17)18-11-13-21(19,20)14-12-18/h15H,3-14H2,1-2H3.
What are the key properties of 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine?
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine has a molecular weight of 317.50 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-N,N-diethylethanamine is sourced from PubChem (CID 86794900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).