3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol

C7H15NO3S — CID 11435473

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESO=S1(=O)CCN(CCCO)CC1
InChIInChI=1S/C7H15NO3S/c9-5-1-2-8-3-6-12(10,11)7-4-8/h9H,1-7H2
InChIKeyVAJSFWFPXNWBLF-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.90
Rot. Bonds3

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol

3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol (PubChem CID 11435473) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
PubChem CID11435473
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESO=S1(=O)CCN(CCCO)CC1
InChIInChI=1S/C7H15NO3S/c9-5-1-2-8-3-6-12(10,11)7-4-8/h9H,1-7H2
InChIKeyVAJSFWFPXNWBLF-UHFFFAOYSA-N
XLogP-0.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol (CID 11435473) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol is O=S1(=O)CCN(CCCO)CC1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The InChIKey is VAJSFWFPXNWBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c9-5-1-2-8-3-6-12(10,11)7-4-8/h9H,1-7H2.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol has a molecular weight of 193.27 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol is sourced from PubChem (CID 11435473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).