(NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide

C13H23NO2S2Si — CID 10805470

IUPAC(NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\C)CC[Si](C)(C)C)cc1
InChIInChI=1S/C13H23NO2S2Si/c1-12-6-8-13(9-7-12)18(15,16)14-17(2)10-11-19(3,4)5/h6-9H,10-11H2,1-5H3
InChIKeyKTUPHXHGZOWREH-UHFFFAOYSA-N
MW317.55 g/mol
LogP3.45
Rot. Bonds5

About (NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide

(NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide (PubChem CID 10805470) has the molecular formula C13H23NO2S2Si and a molecular weight of 317.55 g/mol. Its IUPAC name is (NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide
PubChem CID10805470
Molecular FormulaC13H23NO2S2Si
Molecular Weight317.55 g/mol
Exact Mass317.09
IUPAC Name(NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\C)CC[Si](C)(C)C)cc1
InChIInChI=1S/C13H23NO2S2Si/c1-12-6-8-13(9-7-12)18(15,16)14-17(2)10-11-19(3,4)5/h6-9H,10-11H2,1-5H3
InChIKeyKTUPHXHGZOWREH-UHFFFAOYSA-N
XLogP3.45
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[bis(methylsulfanyl)methylidene]-4-methylbenzene-1-sulfonamide
CID 319370
P-Tolyl vinyl sulfone
CID 79665
4-methyl-N-[methyl(propyl)-lambda~4~-sulfanylidene]benzenesulfonamide
CID 9554254
S,S-dimethyl-N-(p-tolylsulphonyl)sulphoximide
CID 99226
4-methyl-N-[methyl(phenyl)-lambda~4~-sulfanylidene]benzenesulfonamide
CID 5398135
Silanol, trimethyl-, 4-methylbenzenesulfonate
CID 615236
p-Tolyl [2-(trimethylsilyl)ethynyl] sulfone
CID 5075769
Benzenesulfonamide, 4-methyl-N-(methylsulfonyl)-
CID 84575
N-(1,3-dithian-2-ylidene)-4-methylbenzenesulfonamide
CID 783795
1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene
CID 5006204
4-methyl-N-[methyl(4-methylphenyl)-lambda~4~-sulfanylidene]benzenesulfonamide
CID 9601309
benzenesulfonamide, N-(dimethylsulfanylidene)-4-methyl-
CID 265114

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide (CID 10805470) is (NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=S(\C)CC[Si](C)(C)C)cc1.
What is the InChIKey of (NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide?
The InChIKey is KTUPHXHGZOWREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S2Si/c1-12-6-8-13(9-7-12)18(15,16)14-17(2)10-11-19(3,4)5/h6-9H,10-11H2,1-5H3.
What are the key properties of (NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide?
(NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide has a molecular weight of 317.55 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-[methyl(2-trimethylsilylethyl)-λ4-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 10805470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).