3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid

C10H21NOSSi — CID 88850760

IUPAC3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid
SMILESC=CCC(CC(=O)S)N(C)[Si](C)(C)C
InChIInChI=1S/C10H21NOSSi/c1-6-7-9(8-10(12)13)11(2)14(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13)
InChIKeyBISWZIRNJRFFAG-UHFFFAOYSA-N
MW231.44 g/mol
LogP2.54
Rot. Bonds6

About 3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid

3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid (PubChem CID 88850760) has the molecular formula C10H21NOSSi and a molecular weight of 231.44 g/mol. Its IUPAC name is 3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid.

Molecular Properties

Compound Name3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid
PubChem CID88850760
Molecular FormulaC10H21NOSSi
Molecular Weight231.44 g/mol
Exact Mass231.11
IUPAC Name3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid
SMILESC=CCC(CC(=O)S)N(C)[Si](C)(C)C
InChIInChI=1S/C10H21NOSSi/c1-6-7-9(8-10(12)13)11(2)14(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13)
InChIKeyBISWZIRNJRFFAG-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid?
The IUPAC name of 3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid (CID 88850760) is 3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid.
What is the SMILES notation for 3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid?
The canonical SMILES for 3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid is C=CCC(CC(=O)S)N(C)[Si](C)(C)C.
What is the InChIKey of 3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid?
The InChIKey is BISWZIRNJRFFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOSSi/c1-6-7-9(8-10(12)13)11(2)14(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13).
What are the key properties of 3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid?
3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid has a molecular weight of 231.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(trimethylsilyl)amino]hex-5-enethioic S-acid is sourced from PubChem (CID 88850760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).