7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol

C11H23NO3S — CID 58283285

IUPAC7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol
SMILESO=S1(=O)CCN(CCCCCCCO)CC1
InChIInChI=1S/C11H23NO3S/c13-9-5-3-1-2-4-6-12-7-10-16(14,15)11-8-12/h13H,1-11H2
InChIKeyQZIBDHGTBKLHDN-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.66
Rot. Bonds7

About 7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol

7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol (PubChem CID 58283285) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol.

Molecular Properties

Compound Name7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol
PubChem CID58283285
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol
SMILESO=S1(=O)CCN(CCCCCCCO)CC1
InChIInChI=1S/C11H23NO3S/c13-9-5-3-1-2-4-6-12-7-10-16(14,15)11-8-12/h13H,1-11H2
InChIKeyQZIBDHGTBKLHDN-UHFFFAOYSA-N
XLogP0.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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 7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol?
The IUPAC name of 7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol (CID 58283285) is 7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol.
What is the SMILES notation for 7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol?
The canonical SMILES for 7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol is O=S1(=O)CCN(CCCCCCCO)CC1.
What is the InChIKey of 7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol?
The InChIKey is QZIBDHGTBKLHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c13-9-5-3-1-2-4-6-12-7-10-16(14,15)11-8-12/h13H,1-11H2.
What are the key properties of 7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol?
7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-ol is sourced from PubChem (CID 58283285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).