N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide

C12H17NO2S3 — CID 11141222

IUPACN-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide
SMILESCSC(=NS(=O)(=O)c1c(C)cc(C)cc1C)SC
InChIInChI=1S/C12H17NO2S3/c1-8-6-9(2)11(10(3)7-8)18(14,15)13-12(16-4)17-5/h6-7H,1-5H3
InChIKeyUEPOYEFGRCHXCC-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.38
Rot. Bonds2

About N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide

N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 11141222) has the molecular formula C12H17NO2S3 and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide
PubChem CID11141222
Molecular FormulaC12H17NO2S3
Molecular Weight303.47 g/mol
Exact Mass303.04
IUPAC NameN-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide
SMILESCSC(=NS(=O)(=O)c1c(C)cc(C)cc1C)SC
InChIInChI=1S/C12H17NO2S3/c1-8-6-9(2)11(10(3)7-8)18(14,15)13-12(16-4)17-5/h6-7H,1-5H3
InChIKeyUEPOYEFGRCHXCC-UHFFFAOYSA-N
XLogP3.38
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide
CID 82080794
(NE)-N-[1-(4-methoxyphenyl)ethylidene]-2,4,6-trimethylbenzenesulfonamide
CID 135072677
N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide
CID 165176417
1,3,5-trimethyl-2-methylsulfonylbenzene
CID 577272
trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane
CID 90820463
2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol
CID 117037386
N-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-2,4,6-trimethylbenzenesulfonamide
CID 3555044
2-(2,4,6-trimethylphenyl)sulfonylethanol
CID 116852753
2-tert-butylsulfonyl-1,3,5-trimethylbenzene
CID 4069856
1-(2,4,6-trimethylphenyl)sulfonylpropan-2-one
CID 28753715
amino 2,4,6-trimethylbenzenesulfonate
CID 11830845
2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene
CID 130850117

Frequently Asked Questions

What is the IUPAC name of N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide (CID 11141222) is N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide is CSC(=NS(=O)(=O)c1c(C)cc(C)cc1C)SC.
What is the InChIKey of N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is UEPOYEFGRCHXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S3/c1-8-6-9(2)11(10(3)7-8)18(14,15)13-12(16-4)17-5/h6-7H,1-5H3.
What are the key properties of N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide?
N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 11141222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).