[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol

C11H21NO3S — CID 62392754

IUPAC[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol
SMILESO=S1CCN(CC2(CO)CCOCC2)CC1
InChIInChI=1S/C11H21NO3S/c13-10-11(1-5-15-6-2-11)9-12-3-7-16(14)8-4-12/h13H,1-10H2
InChIKeyULEZEDLSNYERAB-UHFFFAOYSA-N
MW247.36 g/mol
LogP-0.16
Rot. Bonds3

About [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol

[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol (PubChem CID 62392754) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol
PubChem CID62392754
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol
SMILESO=S1CCN(CC2(CO)CCOCC2)CC1
InChIInChI=1S/C11H21NO3S/c13-10-11(1-5-15-6-2-11)9-12-3-7-16(14)8-4-12/h13H,1-10H2
InChIKeyULEZEDLSNYERAB-UHFFFAOYSA-N
XLogP-0.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol (CID 62392754) is [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol is O=S1CCN(CC2(CO)CCOCC2)CC1.
What is the InChIKey of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol?
The InChIKey is ULEZEDLSNYERAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-10-11(1-5-15-6-2-11)9-12-3-7-16(14)8-4-12/h13H,1-10H2.
What are the key properties of [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol?
[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol has a molecular weight of 247.36 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol is sourced from PubChem (CID 62392754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).