[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol

C10H14N2O3S — CID 62254620

IUPAC[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol
SMILESO=S1(=O)CCN(c2cccc(CO)n2)CC1
InChIInChI=1S/C10H14N2O3S/c13-8-9-2-1-3-10(11-9)12-4-6-16(14,15)7-5-12/h1-3,13H,4-8H2
InChIKeyPPVKBHONSZZFBY-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.19
Rot. Bonds2

About [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol

[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol (PubChem CID 62254620) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol
PubChem CID62254620
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol
SMILESO=S1(=O)CCN(c2cccc(CO)n2)CC1
InChIInChI=1S/C10H14N2O3S/c13-8-9-2-1-3-10(11-9)12-4-6-16(14,15)7-5-12/h1-3,13H,4-8H2
InChIKeyPPVKBHONSZZFBY-UHFFFAOYSA-N
XLogP-0.19
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol (CID 62254620) is [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol is O=S1(=O)CCN(c2cccc(CO)n2)CC1.
What is the InChIKey of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol?
The InChIKey is PPVKBHONSZZFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c13-8-9-2-1-3-10(11-9)12-4-6-16(14,15)7-5-12/h1-3,13H,4-8H2.
What are the key properties of [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol?
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol has a molecular weight of 242.30 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 62254620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).