5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol

C11H23NO3S — CID 106146109

IUPAC5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CN1CCCCS1(=O)=O
InChIInChI=1S/C11H23NO3S/c1-11(2,6-5-8-13)10-12-7-3-4-9-16(12,14)15/h13H,3-10H2,1-2H3
InChIKeyJDRXZOASKQJBOV-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.21
Rot. Bonds5

About 5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol

5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol (PubChem CID 106146109) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol
PubChem CID106146109
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CN1CCCCS1(=O)=O
InChIInChI=1S/C11H23NO3S/c1-11(2,6-5-8-13)10-12-7-3-4-9-16(12,14)15/h13H,3-10H2,1-2H3
InChIKeyJDRXZOASKQJBOV-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol (CID 106146109) is 5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CN1CCCCS1(=O)=O.
What is the InChIKey of 5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol?
The InChIKey is JDRXZOASKQJBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-11(2,6-5-8-13)10-12-7-3-4-9-16(12,14)15/h13H,3-10H2,1-2H3.
What are the key properties of 5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol?
5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106146109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).