(1-oxo-1,4-thiazinan-4-yl)methanol

C5H11NO2S — CID 22924645

IUPAC(1-oxo-1,4-thiazinan-4-yl)methanol
SMILESO=S1CCN(CO)CC1
InChIInChI=1S/C5H11NO2S/c7-5-6-1-3-9(8)4-2-6/h7H,1-5H2
InChIKeyBMVKPPFSFPEURG-UHFFFAOYSA-N
MW149.21 g/mol
LogP-1.00
Rot. Bonds1

About (1-oxo-1,4-thiazinan-4-yl)methanol

(1-oxo-1,4-thiazinan-4-yl)methanol (PubChem CID 22924645) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is (1-oxo-1,4-thiazinan-4-yl)methanol.

Molecular Properties

Compound Name(1-oxo-1,4-thiazinan-4-yl)methanol
PubChem CID22924645
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name(1-oxo-1,4-thiazinan-4-yl)methanol
SMILESO=S1CCN(CO)CC1
InChIInChI=1S/C5H11NO2S/c7-5-6-1-3-9(8)4-2-6/h7H,1-5H2
InChIKeyBMVKPPFSFPEURG-UHFFFAOYSA-N
XLogP-1.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-oxo-1,4-thiazinan-4-yl)methanol?
The IUPAC name of (1-oxo-1,4-thiazinan-4-yl)methanol (CID 22924645) is (1-oxo-1,4-thiazinan-4-yl)methanol.
What is the SMILES notation for (1-oxo-1,4-thiazinan-4-yl)methanol?
The canonical SMILES for (1-oxo-1,4-thiazinan-4-yl)methanol is O=S1CCN(CO)CC1.
What is the InChIKey of (1-oxo-1,4-thiazinan-4-yl)methanol?
The InChIKey is BMVKPPFSFPEURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c7-5-6-1-3-9(8)4-2-6/h7H,1-5H2.
What are the key properties of (1-oxo-1,4-thiazinan-4-yl)methanol?
(1-oxo-1,4-thiazinan-4-yl)methanol has a molecular weight of 149.21 g/mol, XLogP of -1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1,4-thiazinan-4-yl)methanol is sourced from PubChem (CID 22924645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).