4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide

C10H13ClN2O2S — CID 102885503

IUPAC4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1c1cccc(Cl)n1
InChIInChI=1S/C10H13ClN2O2S/c1-8-7-16(14,15)6-5-13(8)10-4-2-3-9(11)12-10/h2-4,8H,5-7H2,1H3
InChIKeyKTGDJVUCISVIHX-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.36
Rot. Bonds1

About 4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide

4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 102885503) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID102885503
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1c1cccc(Cl)n1
InChIInChI=1S/C10H13ClN2O2S/c1-8-7-16(14,15)6-5-13(8)10-4-2-3-9(11)12-10/h2-4,8H,5-7H2,1H3
InChIKeyKTGDJVUCISVIHX-UHFFFAOYSA-N
XLogP1.36
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide
CID 136868237
6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid
CID 102883883
3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 102885437
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885453
6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
CID 102884285
4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 103583476
(1S)-1-[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
CID 102883966
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinazolin-2-amine
CID 102887639
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 102887762
6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773359
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 113461629
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 102882640

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide (CID 102885503) is 4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1c1cccc(Cl)n1.
What is the InChIKey of 4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is KTGDJVUCISVIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-8-7-16(14,15)6-5-13(8)10-4-2-3-9(11)12-10/h2-4,8H,5-7H2,1H3.
What are the key properties of 4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 260.75 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102885503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).