tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane

C17H22ClNOSSi — CID 154660343

IUPACtert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane
SMILESCC(C)(C)[Si](N=S(C)(=O)Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22ClNOSSi/c1-17(2,3)22(19-21(4,18)20,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKeyYOKFWYRWZDKOKS-UHFFFAOYSA-N
MW351.98 g/mol
LogP3.80
Rot. Bonds3

About tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane

tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane (PubChem CID 154660343) has the molecular formula C17H22ClNOSSi and a molecular weight of 351.98 g/mol. Its IUPAC name is tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane
PubChem CID154660343
Molecular FormulaC17H22ClNOSSi
Molecular Weight351.98 g/mol
Exact Mass351.09
IUPAC Nametert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane
SMILESCC(C)(C)[Si](N=S(C)(=O)Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22ClNOSSi/c1-17(2,3)22(19-21(4,18)20,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKeyYOKFWYRWZDKOKS-UHFFFAOYSA-N
XLogP3.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.98
LogP ≤ 53.80
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

tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane;N-[tert-butyl(diphenyl)silyl]methanesulfonamide;N-[N-[tert-butyl(diphenyl)silyl]-S-methylsulfonimidoyl]-N-methylmethanamine;dichloro(triphenyl)-λ5-phosphane;methanesulfonamide;N-methylmethanamine;N-methyl-N-(methylsulfonimidoyl)methanamine
CID 164950565
2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone
CID 10525889
cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol
CID 25035068
methyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 519772
1-[tert-butyl(diphenyl)silyl]imino-4,4-dimethyl-1-oxo-1,2-thiazolidin-3-one
CID 167317088
[(chloro-oxo-phenyl-λ6-sulfanylidene)amino]-trimethylsilane
CID 129405304
benzene;benzenesulfonyl chloride
CID 87647314
(amino-tert-butyl-phenylsilyl)benzene
CID 14007717
tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane
CID 11146477
tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane
CID 146029337
(S-chloro-N-phenylsulfonimidoyl)-trimethylsilane
CID 123823232
trimethyl-[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]silane
CID 25041125

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane?
The IUPAC name of tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane (CID 154660343) is tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane?
The canonical SMILES for tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane is CC(C)(C)[Si](N=S(C)(=O)Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane?
The InChIKey is YOKFWYRWZDKOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNOSSi/c1-17(2,3)22(19-21(4,18)20,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,1-4H3.
What are the key properties of tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane?
tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane has a molecular weight of 351.98 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane is sourced from PubChem (CID 154660343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).