3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide

C11H20N2O2S — CID 114410650

IUPAC3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(CCN2CC=CCC2)C1
InChIInChI=1S/C11H20N2O2S/c14-16(15)9-5-12-11(10-16)4-8-13-6-2-1-3-7-13/h1-2,11-12H,3-10H2
InChIKeyPSYYLYFQRWPLPF-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.03
Rot. Bonds3

About 3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide

3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 114410650) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID114410650
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNC(CCN2CC=CCC2)C1
InChIInChI=1S/C11H20N2O2S/c14-16(15)9-5-12-11(10-16)4-8-13-6-2-1-3-7-13/h1-2,11-12H,3-10H2
InChIKeyPSYYLYFQRWPLPF-UHFFFAOYSA-N
XLogP0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide (CID 114410650) is 3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCNC(CCN2CC=CCC2)C1.
What is the InChIKey of 3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is PSYYLYFQRWPLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c14-16(15)9-5-12-11(10-16)4-8-13-6-2-1-3-7-13/h1-2,11-12H,3-10H2.
What are the key properties of 3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 244.36 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 114410650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).