2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide

C12H17NO2S — CID 82084355

IUPAC2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide
SMILESCc1ccc(N2CCCCS2(=O)=O)c(C)c1
InChIInChI=1S/C12H17NO2S/c1-10-5-6-12(11(2)9-10)13-7-3-4-8-16(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyKRSJEOQXDVMNNH-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.23
Rot. Bonds1

About 2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide

2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide (PubChem CID 82084355) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide
PubChem CID82084355
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide
SMILESCc1ccc(N2CCCCS2(=O)=O)c(C)c1
InChIInChI=1S/C12H17NO2S/c1-10-5-6-12(11(2)9-10)13-7-3-4-8-16(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyKRSJEOQXDVMNNH-UHFFFAOYSA-N
XLogP2.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide
CID 82094857
4-(1,1-dioxothiazinan-2-yl)-3-methylbenzoic acid
CID 16642520
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline
CID 16642516
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol
CID 142614209
3-[2-(1,1-dioxothiazinan-2-yl)-5-methylphenyl]prop-2-yn-1-ol
CID 116816620
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide
CID 112505484
1-[4-[4-(1,1-dioxothiazinan-2-yl)-3-methylbenzoyl]piperazin-1-yl]ethanone
CID 7685873
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide
CID 110303556
[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7685858
2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide
CID 110353562
N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7499082
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 7685921

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide?
The IUPAC name of 2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide (CID 82084355) is 2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide?
The canonical SMILES for 2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide is Cc1ccc(N2CCCCS2(=O)=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide?
The InChIKey is KRSJEOQXDVMNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-5-6-12(11(2)9-10)13-7-3-4-8-16(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide?
2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide has a molecular weight of 239.34 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide is sourced from PubChem (CID 82084355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).