6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine

C10H22N2O2S — CID 43581607

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine
SMILESNCCCCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O2S/c11-5-3-1-2-4-6-12-7-9-15(13,14)10-8-12/h1-11H2
InChIKeyCZXWJGXLNTZJEE-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.24
Rot. Bonds6

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine

6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine (PubChem CID 43581607) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine
PubChem CID43581607
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine
SMILESNCCCCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O2S/c11-5-3-1-2-4-6-12-7-9-15(13,14)10-8-12/h1-11H2
InChIKeyCZXWJGXLNTZJEE-UHFFFAOYSA-N
XLogP0.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine (CID 43581607) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine is NCCCCCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine?
The InChIKey is CZXWJGXLNTZJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c11-5-3-1-2-4-6-12-7-9-15(13,14)10-8-12/h1-11H2.
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine?
6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine has a molecular weight of 234.36 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine is sourced from PubChem (CID 43581607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).