N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide

C39H87N3O12S3Si3 — CID 90747270

IUPACN,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide
SMILESCCO[Si](CCCSCC(C)C(=O)N(C)C)(OCC)OCC.CO[Si](CCCSCC(C)(C)C(=O)N(C)C)(OC)OC.CO[Si](CCCSCC(C)NC(C)=O)(OC)OC
InChIInChI=1S/C15H33NO4SSi.C13H29NO4SSi.C11H25NO4SSi/c1-7-18-22(19-8-2,20-9-3)12-10-11-21-13-14(4)15(17)16(5)6;1-13(2,12(15)14(3)4)11-19-9-8-10-20(16-5,17-6)18-7;1-10(12-11(2)13)9-17-7-6-8-18(14-3,15-4)16-5/h14H,7-13H2,1-6H3;8-11H2,1-7H3;10H,6-9H2,1-5H3,(H,12,13)
InChIKeyDHOHZLCWHHYNOS-UHFFFAOYSA-N
MW970.59 g/mol
LogP6.50
Rot. Bonds33

About N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide

N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide (PubChem CID 90747270) has the molecular formula C39H87N3O12S3Si3 and a molecular weight of 970.59 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide
PubChem CID90747270
Molecular FormulaC39H87N3O12S3Si3
Molecular Weight970.59 g/mol
Exact Mass969.48
IUPAC NameN,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide
SMILESCCO[Si](CCCSCC(C)C(=O)N(C)C)(OCC)OCC.CO[Si](CCCSCC(C)(C)C(=O)N(C)C)(OC)OC.CO[Si](CCCSCC(C)NC(C)=O)(OC)OC
InChIInChI=1S/C15H33NO4SSi.C13H29NO4SSi.C11H25NO4SSi/c1-7-18-22(19-8-2,20-9-3)12-10-11-21-13-14(4)15(17)16(5)6;1-13(2,12(15)14(3)4)11-19-9-8-10-20(16-5,17-6)18-7;1-10(12-11(2)13)9-17-7-6-8-18(14-3,15-4)16-5/h14H,7-13H2,1-6H3;8-11H2,1-7H3;10H,6-9H2,1-5H3,(H,12,13)
InChIKeyDHOHZLCWHHYNOS-UHFFFAOYSA-N
XLogP6.50
TPSA152.79 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500970.59
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide with MolForge

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Related Compounds

2-hydroxyethyl 2,2-dimethyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate;methyl 2,2-dimethyl-3-(3-triethoxysilylpropylsulfanyl)propanoate;methyl 2,2-dimethyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate;methyl 2-methyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate
CID 91077038
2,2-dimethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;1-(hydroxymethyl)-3-methyl-3-(3-trimethoxysilylpropylsulfanylmethyl)aziridin-1-ium-2-one;2-methyl-1-morpholin-4-yl-3-(3-trimethoxysilylpropylsulfanyl)propan-1-one;N-[(2-methylpropan-2-yl)oxymethyl]-1-(3-trimethoxysilylpropylsulfanyl)propan-2-amine;3-methyl-4-(3-triethoxysilylpropylsulfanyl)butan-2-one;2-methyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;2-methyl-3-(3-trimethoxysilylpropylsulfanyl)propanoic acid;N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;1-(3-trimethoxysilylpropylsulfanyl)propan-2-ol;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;1-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]pyrrolidin-2-one;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide;N,2,2-trimethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide
CID 158305517
4-[2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoyl]oxybutyl 2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59305878
(4-butan-2-ylphenyl)methyl-trimethylazanium;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide
CID 123398119
2-acetamido-3-[3-[methoxy(dimethyl)silyl]propylsulfanyl]propanoic acid
CID 23534251
[3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate
CID 58971354
1-(3-trimethoxysilylpropylsulfanyl)propan-2-ol
CID 20776575
S-(3-trimethoxysilylpropyl) N-(3-triethoxysilylpropyl)carbamothioate
CID 58004922
[2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59620749
3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide
CID 23597776
2-[2-methyl-3-[2-[1-(3-triethoxysilylpropylamino)ethenylamino]ethylsulfanyl]propanoyl]oxyethanesulfonate
CID 58903437
potassium 2-[2-methyl-3-[2-[1-(3-triethoxysilylpropylamino)ethenylamino]ethylsulfanyl]propanoyl]oxyethanesulfonate
CID 157454989

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide?
The IUPAC name of N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide (CID 90747270) is N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide.
What is the SMILES notation for N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide?
The canonical SMILES for N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide is CCO[Si](CCCSCC(C)C(=O)N(C)C)(OCC)OCC.CO[Si](CCCSCC(C)(C)C(=O)N(C)C)(OC)OC.CO[Si](CCCSCC(C)NC(C)=O)(OC)OC.
What is the InChIKey of N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide?
The InChIKey is DHOHZLCWHHYNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO4SSi.C13H29NO4SSi.C11H25NO4SSi/c1-7-18-22(19-8-2,20-9-3)12-10-11-21-13-14(4)15(17)16(5)6;1-13(2,12(15)14(3)4)11-19-9-8-10-20(16-5,17-6)18-7;1-10(12-11(2)13)9-17-7-6-8-18(14-3,15-4)16-5/h14H,7-13H2,1-6H3;8-11H2,1-7H3;10H,6-9H2,1-5H3,(H,12,13).
What are the key properties of N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide?
N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide has a molecular weight of 970.59 g/mol, XLogP of 6.50, 33 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide is sourced from PubChem (CID 90747270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).