4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide

C11H16N2O2S — CID 1479939

IUPAC4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCc2ccccn2)CC1
InChIInChI=1S/C11H16N2O2S/c14-16(15)9-7-13(8-10-16)6-4-11-3-1-2-5-12-11/h1-3,5H,4,6-10H2
InChIKeyLIWZGNAQMRUNIX-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.35
Rot. Bonds3

About 4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide

4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 1479939) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID1479939
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCc2ccccn2)CC1
InChIInChI=1S/C11H16N2O2S/c14-16(15)9-7-13(8-10-16)6-4-11-3-1-2-5-12-11/h1-3,5H,4,6-10H2
InChIKeyLIWZGNAQMRUNIX-UHFFFAOYSA-N
XLogP0.35
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide (CID 1479939) is 4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(CCc2ccccn2)CC1.
What is the InChIKey of 4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is LIWZGNAQMRUNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-16(15)9-7-13(8-10-16)6-4-11-3-1-2-5-12-11/h1-3,5H,4,6-10H2.
What are the key properties of 4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide?
4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 240.33 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 1479939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).