3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol

C11H23NO3S — CID 102885614

IUPAC3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C11H23NO3S/c1-4-11(13,5-2)9-12-6-7-16(14,15)8-10(12)3/h10,13H,4-9H2,1-3H3
InChIKeyITDCHEVAIGRIKZ-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.66
Rot. Bonds4

About 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol

3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol (PubChem CID 102885614) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol
PubChem CID102885614
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C11H23NO3S/c1-4-11(13,5-2)9-12-6-7-16(14,15)8-10(12)3/h10,13H,4-9H2,1-3H3
InChIKeyITDCHEVAIGRIKZ-UHFFFAOYSA-N
XLogP0.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol?
The IUPAC name of 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol (CID 102885614) is 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol?
The canonical SMILES for 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol is CCC(O)(CC)CN1CCS(=O)(=O)CC1C.
What is the InChIKey of 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol?
The InChIKey is ITDCHEVAIGRIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-4-11(13,5-2)9-12-6-7-16(14,15)8-10(12)3/h10,13H,4-9H2,1-3H3.
What are the key properties of 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol?
3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol has a molecular weight of 249.38 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-3-ol is sourced from PubChem (CID 102885614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).