2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane

C11H14ClNOS — CID 66217529

IUPAC2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane
SMILESCOc1ccc(C2NCCCS2)cc1Cl
InChIInChI=1S/C11H14ClNOS/c1-14-10-4-3-8(7-9(10)12)11-13-5-2-6-15-11/h3-4,7,11,13H,2,5-6H2,1H3
InChIKeyBUSCUOFNPPJOGM-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.07
Rot. Bonds2

About 2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane

2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane (PubChem CID 66217529) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane
PubChem CID66217529
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane
SMILESCOc1ccc(C2NCCCS2)cc1Cl
InChIInChI=1S/C11H14ClNOS/c1-14-10-4-3-8(7-9(10)12)11-13-5-2-6-15-11/h3-4,7,11,13H,2,5-6H2,1H3
InChIKeyBUSCUOFNPPJOGM-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(1,3-thiazinan-2-yl)phenol
CID 66218518
2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
CID 3050896
2-(4-chloro-3-fluorophenyl)-1,3-thiazinane
CID 66219496
2-(2-methoxyphenyl)-1,3-thiazinane
CID 66219247
2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride
CID 126475922
(2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1204071
hydron;2-(4-methylphenyl)-1,3-thiazinane;chloride
CID 50986722
2-(2,3-dichlorophenyl)-1,3-thiazinane
CID 66220231
4-(1,3-thiazinan-2-yl)benzonitrile
CID 66218756
2-(3-phenoxyphenyl)-1,3-thiazinane
CID 66219243
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane (CID 66217529) is 2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane is COc1ccc(C2NCCCS2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane?
The InChIKey is BUSCUOFNPPJOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-14-10-4-3-8(7-9(10)12)11-13-5-2-6-15-11/h3-4,7,11,13H,2,5-6H2,1H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane?
2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane has a molecular weight of 243.76 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane is sourced from PubChem (CID 66217529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).