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

C77H110Cl3N8O7PS5Si3 — CID 164950565

IUPACtert-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
SMILESCC(C)(C)[Si](N=S(C)(=O)Cl)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](NS(C)(=O)=O)(c1ccccc1)c1ccccc1.CN(C)S(C)(=O)=N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CNC.CS(N)(=O)=O.ClP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.[H]N=S(C)(=O)N(C)C
InChIInChI=1S/C19H28N2OSSi.C18H15Cl2P.C17H22ClNOSSi.C17H23NO2SSi.C3H10N2OS.C2H7N.CH5NO2S/c1-19(2,3)24(17-13-9-7-10-14-17,18-15-11-8-12-16-18)20-23(6,22)21(4)5;19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17(2,3)22(19-21(4,18)20,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-17(2,3)22(18-21(4,19)20,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-5(2)7(3,4)6;1-3-2;1-5(2,3)4/h7-16H,1-6H3;1-15H;5-14H,1-4H3;5-14,18H,1-4H3;4H,1-3H3;3H,1-2H3;1H3,(H2,2,3,4)
InChIKeyALXPBKACHPDFEG-UHFFFAOYSA-N
MW1641.70 g/mol
LogP12.72
Rot. Bonds15

About 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

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 (PubChem CID 164950565) has the molecular formula C77H110Cl3N8O7PS5Si3 and a molecular weight of 1641.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID164950565
Molecular FormulaC77H110Cl3N8O7PS5Si3
Molecular Weight1641.70 g/mol
Exact Mass1638.52
IUPAC Nametert-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
SMILESCC(C)(C)[Si](N=S(C)(=O)Cl)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](NS(C)(=O)=O)(c1ccccc1)c1ccccc1.CN(C)S(C)(=O)=N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CNC.CS(N)(=O)=O.ClP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.[H]N=S(C)(=O)N(C)C
InChIInChI=1S/C19H28N2OSSi.C18H15Cl2P.C17H22ClNOSSi.C17H23NO2SSi.C3H10N2OS.C2H7N.CH5NO2S/c1-19(2,3)24(17-13-9-7-10-14-17,18-15-11-8-12-16-18)20-23(6,22)21(4)5;19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17(2,3)22(19-21(4,18)20,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-17(2,3)22(18-21(4,19)20,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-5(2)7(3,4)6;1-3-2;1-5(2,3)4/h7-16H,1-6H3;1-15H;5-14H,1-4H3;5-14,18H,1-4H3;4H,1-3H3;3H,1-2H3;1H3,(H2,2,3,4)
InChIKeyALXPBKACHPDFEG-UHFFFAOYSA-N
XLogP12.72
TPSA224.62 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001641.70
LogP ≤ 512.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)[Si](N=S(C)(=O)Cl)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](NS(C)(=O)=O)(c1ccccc1)c1ccccc1.CN(C)S(C)(=O)=N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CNC.CS(N)(=O)=O.ClP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.[H]N=S(C)(=O)N(C)C.
What is the InChIKey of 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?
The InChIKey is ALXPBKACHPDFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OSSi.C18H15Cl2P.C17H22ClNOSSi.C17H23NO2SSi.C3H10N2OS.C2H7N.CH5NO2S/c1-19(2,3)24(17-13-9-7-10-14-17,18-15-11-8-12-16-18)20-23(6,22)21(4)5;19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17(2,3)22(19-21(4,18)20,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-17(2,3)22(18-21(4,19)20,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-5(2)7(3,4)6;1-3-2;1-5(2,3)4/h7-16H,1-6H3;1-15H;5-14H,1-4H3;5-14,18H,1-4H3;4H,1-3H3;3H,1-2H3;1H3,(H2,2,3,4).
What are the key properties of 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?
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 has a molecular weight of 1641.70 g/mol, XLogP of 12.72, 15 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164950565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).