(2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide

C15H29NSSi — CID 177383766

IUPAC(2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide
SMILESC=C/C=C(/C(=S)N(CC)CC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29NSSi/c1-9-12-13(14(17)16(10-2)11-3)18(7,8)15(4,5)6/h9,12H,1,10-11H2,2-8H3/b13-12-
InChIKeyGSHOJSKEIXZRHN-SEYXRHQNSA-N
MW283.56 g/mol
LogP4.82
Rot. Bonds5

About (2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide

(2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide (PubChem CID 177383766) has the molecular formula C15H29NSSi and a molecular weight of 283.56 g/mol. Its IUPAC name is (2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide.

Molecular Properties

Compound Name(2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide
PubChem CID177383766
Molecular FormulaC15H29NSSi
Molecular Weight283.56 g/mol
Exact Mass283.18
IUPAC Name(2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide
SMILESC=C/C=C(/C(=S)N(CC)CC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29NSSi/c1-9-12-13(14(17)16(10-2)11-3)18(7,8)15(4,5)6/h9,12H,1,10-11H2,2-8H3/b13-12-
InChIKeyGSHOJSKEIXZRHN-SEYXRHQNSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.56
LogP ≤ 54.82
H-Bond Donors ≤ 50
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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate
CID 91733838
2-ethenyl-N,N-diethylpenta-2,4-dienamide
CID 91586528
N,N-diethylcarbamodithioate
CID 28343
tetrakis(N,N-diethylcarbamodithioate);triiodomolybdenum
CID 5149899
CID 19880505
CID 19880505
CID 171395735
CID 171395735
tris(N,N-diethylcarbamodithioate);ruthenium(3+)
CID 101036652
diethylcarbamodithioic acid;prop-2-en-1-amine
CID 173061027
N-buta-1,3-dien-2-yl-N-ethyl-7,7-dimethyl-6-methylideneoctan-1-amine
CID 167148339
bis(N,N-diethylcarbamodithioate);tin(2+);chloride
CID 21124785
diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold
CID 87918592
2-(diethylamino)-2-sulfanylideneacetic acid
CID 87499901

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide?
The IUPAC name of (2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide (CID 177383766) is (2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide.
What is the SMILES notation for (2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide?
The canonical SMILES for (2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide is C=C/C=C(/C(=S)N(CC)CC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide?
The InChIKey is GSHOJSKEIXZRHN-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H29NSSi/c1-9-12-13(14(17)16(10-2)11-3)18(7,8)15(4,5)6/h9,12H,1,10-11H2,2-8H3/b13-12-.
What are the key properties of (2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide?
(2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide has a molecular weight of 283.56 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[tert-butyl(dimethyl)silyl]-N,N-diethylpenta-2,4-dienethioamide is sourced from PubChem (CID 177383766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).