4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide

C12H17NO3S2 — CID 110721585

IUPAC4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide
SMILESCc1ccc(S(=O)(=O)N2CCS(=O)CC2)c(C)c1
InChIInChI=1S/C12H17NO3S2/c1-10-3-4-12(11(2)9-10)18(15,16)13-5-7-17(14)8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyIHOHBLKBYYPBCL-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.06
Rot. Bonds2

About 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide

4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide (PubChem CID 110721585) has the molecular formula C12H17NO3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide
PubChem CID110721585
Molecular FormulaC12H17NO3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide
SMILESCc1ccc(S(=O)(=O)N2CCS(=O)CC2)c(C)c1
InChIInChI=1S/C12H17NO3S2/c1-10-3-4-12(11(2)9-10)18(15,16)13-5-7-17(14)8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyIHOHBLKBYYPBCL-UHFFFAOYSA-N
XLogP1.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721448
4-(2,4-dimethylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 56806267
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799630
1-(2,4-dimethylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 18097099
2-bromo-4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 114625488
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazepane
CID 86992431
3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine
CID 110740045
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]isoindole-1,3-dione
CID 113082559
1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 110708837
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide (CID 110721585) is 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide is Cc1ccc(S(=O)(=O)N2CCS(=O)CC2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide?
The InChIKey is IHOHBLKBYYPBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S2/c1-10-3-4-12(11(2)9-10)18(15,16)13-5-7-17(14)8-6-13/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide?
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide has a molecular weight of 287.41 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 110721585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).