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

C12H17NO4S2 — CID 110721448

IUPAC4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)c(C)c1
InChIInChI=1S/C12H17NO4S2/c1-10-3-4-12(11(2)9-10)19(16,17)13-5-7-18(14,15)8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyXLKWAGFELGMRID-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.72
Rot. Bonds2

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

4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide (PubChem CID 110721448) has the molecular formula C12H17NO4S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
PubChem CID110721448
Molecular FormulaC12H17NO4S2
Molecular Weight303.41 g/mol
Exact Mass303.06
IUPAC Name4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)c(C)c1
InChIInChI=1S/C12H17NO4S2/c1-10-3-4-12(11(2)9-10)19(16,17)13-5-7-18(14,15)8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyXLKWAGFELGMRID-UHFFFAOYSA-N
XLogP0.72
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide
CID 110721585
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
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
1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 110708837
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 28705351
1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2137811

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide (CID 110721448) is 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide is Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is XLKWAGFELGMRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-10-3-4-12(11(2)9-10)19(16,17)13-5-7-18(14,15)8-6-13/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 303.41 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 110721448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).