4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide

C11H16N2O3S2 — CID 100658383

IUPAC4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S2(=O)CCNCC2)cc1
InChIInChI=1S/C11H16N2O3S2/c1-10-2-4-11(5-3-10)18(15,16)13-17(14)8-6-12-7-9-17/h2-5,12H,6-9H2,1H3
InChIKeyYVEPZVOOGBUACQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.75
Rot. Bonds2

About 4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide

4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide (PubChem CID 100658383) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide
PubChem CID100658383
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S2(=O)CCNCC2)cc1
InChIInChI=1S/C11H16N2O3S2/c1-10-2-4-11(5-3-10)18(15,16)13-17(14)8-6-12-7-9-17/h2-5,12H,6-9H2,1H3
InChIKeyYVEPZVOOGBUACQ-UHFFFAOYSA-N
XLogP0.75
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,4-dimethoxy-1-oxothian-1-ylidene)-4-methylbenzenesulfonamide
CID 139064856
N-[4-(5-cyano-2-pyridinyl)-1-oxo-1,4-thiazinan-1-ylidene]-4-methylbenzenesulfonamide
CID 126807042
1,1-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-ium
CID 57179240
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide
CID 146103573
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
1,1-bis-(4-methylphenyl)sulfonyl-5,9,13-triaza-1-azoniacyclohexadecane
CID 70112849
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528
4-methyl-N-(oxomethylidene)benzenesulfonamide;hydrate
CID 141397205
N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 163201515
N-diazo-4-methylbenzenesulfonamide
CID 13661
N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide (CID 100658383) is 4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)N=S2(=O)CCNCC2)cc1.
What is the InChIKey of 4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide?
The InChIKey is YVEPZVOOGBUACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-10-2-4-11(5-3-10)18(15,16)13-17(14)8-6-12-7-9-17/h2-5,12H,6-9H2,1H3.
What are the key properties of 4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide?
4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-oxo-1,4-thiazinan-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 100658383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).