2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propylpentan-1-amine

C12H26N2O2S — CID 43581355

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-3-5-12(11-13,6-4-2)14-7-9-17(15,16)10-8-14/h3-11,13H2,1-2H3
InChIKeyRRZOHRIBBHILGB-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.01
Rot. Bonds6

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propylpentan-1-amine

2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propylpentan-1-amine (PubChem CID 43581355) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propylpentan-1-amine
PubChem CID43581355
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propylpentan-1-amine
SMILESCCCC(CN)(CCC)N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-3-5-12(11-13,6-4-2)14-7-9-17(15,16)10-8-14/h3-11,13H2,1-2H3
InChIKeyRRZOHRIBBHILGB-UHFFFAOYSA-N
XLogP1.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.01
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)-2-propylpentan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propylpentan-1-amine (CID 43581355) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propylpentan-1-amine is CCCC(CN)(CCC)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propylpentan-1-amine?
The InChIKey is RRZOHRIBBHILGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-5-12(11-13,6-4-2)14-7-9-17(15,16)10-8-14/h3-11,13H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propylpentan-1-amine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propylpentan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 1.01, 6 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)-2-propylpentan-1-amine is sourced from PubChem (CID 43581355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).