2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol

C12H16ClNO4S — CID 82977569

IUPAC2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol
SMILESCOc1cc(CN2CCS(=O)(=O)CC2)cc(Cl)c1O
InChIInChI=1S/C12H16ClNO4S/c1-18-11-7-9(6-10(13)12(11)15)8-14-2-4-19(16,17)5-3-14/h6-7,15H,2-5,8H2,1H3
InChIKeyZNDHOYQAUXEPHI-UHFFFAOYSA-N
MW305.78 g/mol
LogP1.28
Rot. Bonds3

About 2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol

2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol (PubChem CID 82977569) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol
PubChem CID82977569
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol
SMILESCOc1cc(CN2CCS(=O)(=O)CC2)cc(Cl)c1O
InChIInChI=1S/C12H16ClNO4S/c1-18-11-7-9(6-10(13)12(11)15)8-14-2-4-19(16,17)5-3-14/h6-7,15H,2-5,8H2,1H3
InChIKeyZNDHOYQAUXEPHI-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981276
2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983112
2,4-dichloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82977282
2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82981697
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65339019
[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(3-chlorophenyl)methanone
CID 26328496
2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979703
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1377032
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methoxybenzonitrile
CID 65344017
ethyl 4-[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 30727989
4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 2901135
4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
CID 95553357

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol?
The IUPAC name of 2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol (CID 82977569) is 2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol?
The canonical SMILES for 2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol is COc1cc(CN2CCS(=O)(=O)CC2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol?
The InChIKey is ZNDHOYQAUXEPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-18-11-7-9(6-10(13)12(11)15)8-14-2-4-19(16,17)5-3-14/h6-7,15H,2-5,8H2,1H3.
What are the key properties of 2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol?
2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol has a molecular weight of 305.78 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methoxyphenol is sourced from PubChem (CID 82977569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).