N-tert-butyl-N-(silylmethyl)ethanethioamide

C7H17NSSi — CID 164985073

IUPACN-tert-butyl-N-(silylmethyl)ethanethioamide
SMILESCC(=S)N(C[SiH3])C(C)(C)C
InChIInChI=1S/C7H17NSSi/c1-6(9)8(5-10)7(2,3)4/h5H2,1-4,10H3
InChIKeyXDEKDBOQUCELTI-UHFFFAOYSA-N
MW175.37 g/mol
LogP0.76
Rot. Bonds1

About N-tert-butyl-N-(silylmethyl)ethanethioamide

N-tert-butyl-N-(silylmethyl)ethanethioamide (PubChem CID 164985073) has the molecular formula C7H17NSSi and a molecular weight of 175.37 g/mol. Its IUPAC name is N-tert-butyl-N-(silylmethyl)ethanethioamide.

Molecular Properties

Compound NameN-tert-butyl-N-(silylmethyl)ethanethioamide
PubChem CID164985073
Molecular FormulaC7H17NSSi
Molecular Weight175.37 g/mol
Exact Mass175.09
IUPAC NameN-tert-butyl-N-(silylmethyl)ethanethioamide
SMILESCC(=S)N(C[SiH3])C(C)(C)C
InChIInChI=1S/C7H17NSSi/c1-6(9)8(5-10)7(2,3)4/h5H2,1-4,10H3
InChIKeyXDEKDBOQUCELTI-UHFFFAOYSA-N
XLogP0.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.37
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-tert-butyl-N-(silylmethyl)ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(silylmethyl)ethanethioamide
CID 164985066
N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide
CID 82103606
N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide
CID 82103611
tert-butyl-[[4-[[tert-butyl(dithiocarboxy)amino]methyl]phenyl]methyl]carbamodithioic acid
CID 102522084
N-butyl-N-[2-(methylamino)-3-oxobutan-2-yl]ethanethioamide
CID 146384280
2-amino-N-tert-butyl-N-ethylacetamide
CID 82183887
1,3-ditert-butyl-1,3-dimethylthiourea
CID 88936298
N-tert-butyl-N-(3-hydroxypropyl)acetamide
CID 138079475
O-(2-hydroxy-2-methylpropyl) ethanethioate
CID 88671393
2-methylpropane-2-thiol;propan-2-imine
CID 164871424
[(2R)-2-aminopropyl]-tert-butylcarbamic acid
CID 97170149
O-(2-cyclohexylethyl) ethanethioate
CID 101381755

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(silylmethyl)ethanethioamide?
The IUPAC name of N-tert-butyl-N-(silylmethyl)ethanethioamide (CID 164985073) is N-tert-butyl-N-(silylmethyl)ethanethioamide.
What is the SMILES notation for N-tert-butyl-N-(silylmethyl)ethanethioamide?
The canonical SMILES for N-tert-butyl-N-(silylmethyl)ethanethioamide is CC(=S)N(C[SiH3])C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(silylmethyl)ethanethioamide?
The InChIKey is XDEKDBOQUCELTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NSSi/c1-6(9)8(5-10)7(2,3)4/h5H2,1-4,10H3.
What are the key properties of N-tert-butyl-N-(silylmethyl)ethanethioamide?
N-tert-butyl-N-(silylmethyl)ethanethioamide has a molecular weight of 175.37 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(silylmethyl)ethanethioamide is sourced from PubChem (CID 164985073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).