N-[tert-butyl(dimethyl)silyl]prop-2-enethioamide

C9H19NSSi — CID 151360811

IUPACN-[tert-butyl(dimethyl)silyl]prop-2-enethioamide
SMILESC=CC(=S)N[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H19NSSi/c1-7-8(11)10-12(5,6)9(2,3)4/h7H,1H2,2-6H3,(H,10,11)
InChIKeyOOLAASVAEUKYCG-UHFFFAOYSA-N
MW201.41 g/mol
LogP3.09
Rot. Bonds2

About N-[tert-butyl(dimethyl)silyl]prop-2-enethioamide

N-[tert-butyl(dimethyl)silyl]prop-2-enethioamide (PubChem CID 151360811) has the molecular formula C9H19NSSi and a molecular weight of 201.41 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]prop-2-enethioamide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]prop-2-enethioamide
PubChem CID151360811
Molecular FormulaC9H19NSSi
Molecular Weight201.41 g/mol
Exact Mass201.10
IUPAC NameN-[tert-butyl(dimethyl)silyl]prop-2-enethioamide
SMILESC=CC(=S)N[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H19NSSi/c1-7-8(11)10-12(5,6)9(2,3)4/h7H,1H2,2-6H3,(H,10,11)
InChIKeyOOLAASVAEUKYCG-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]prop-2-enethioamide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]prop-2-enethioamide (CID 151360811) is N-[tert-butyl(dimethyl)silyl]prop-2-enethioamide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]prop-2-enethioamide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]prop-2-enethioamide is C=CC(=S)N[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]prop-2-enethioamide?
The InChIKey is OOLAASVAEUKYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NSSi/c1-7-8(11)10-12(5,6)9(2,3)4/h7H,1H2,2-6H3,(H,10,11).
What are the key properties of N-[tert-butyl(dimethyl)silyl]prop-2-enethioamide?
N-[tert-butyl(dimethyl)silyl]prop-2-enethioamide has a molecular weight of 201.41 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]prop-2-enethioamide is sourced from PubChem (CID 151360811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).