N-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide

C11H25NO2SSi — CID 135075477

IUPACN-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide
SMILESCC/C=C/C(C)NS(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C11H25NO2SSi/c1-6-7-8-11(2)12-15(13,14)9-10-16(3,4)5/h7-8,11-12H,6,9-10H2,1-5H3/b8-7+
InChIKeyWPFFQEKPHJCECX-BQYQJAHWSA-N
MW263.48 g/mol
LogP2.60
Rot. Bonds7

About N-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide

N-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide (PubChem CID 135075477) has the molecular formula C11H25NO2SSi and a molecular weight of 263.48 g/mol. Its IUPAC name is N-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide.

Molecular Properties

Compound NameN-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide
PubChem CID135075477
Molecular FormulaC11H25NO2SSi
Molecular Weight263.48 g/mol
Exact Mass263.14
IUPAC NameN-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide
SMILESCC/C=C/C(C)NS(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C11H25NO2SSi/c1-6-7-8-11(2)12-15(13,14)9-10-16(3,4)5/h7-8,11-12H,6,9-10H2,1-5H3/b8-7+
InChIKeyWPFFQEKPHJCECX-BQYQJAHWSA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.48
LogP ≤ 52.60
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'}

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Related Compounds

N-prop-2-enyl-2-trimethylsilylethanesulfonamide
CID 135085108
(E)-N-propan-2-ylpent-3-ene-1-sulfonamide
CID 90277861
(E)-N-propan-2-ylhex-3-ene-1-sulfonamide
CID 118884462
(E)-N-propan-2-ylhept-3-ene-1-sulfonamide
CID 118884465
(E)-N-[(2R)-butan-2-yl]hex-3-ene-1-sulfonamide
CID 118884474
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide
CID 10914119

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide?
The IUPAC name of N-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide (CID 135075477) is N-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide.
What is the SMILES notation for N-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide?
The canonical SMILES for N-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide is CC/C=C/C(C)NS(=O)(=O)CC[Si](C)(C)C.
What is the InChIKey of N-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide?
The InChIKey is WPFFQEKPHJCECX-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H25NO2SSi/c1-6-7-8-11(2)12-15(13,14)9-10-16(3,4)5/h7-8,11-12H,6,9-10H2,1-5H3/b8-7+.
What are the key properties of N-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide?
N-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide has a molecular weight of 263.48 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hex-3-en-2-yl]-2-trimethylsilylethanesulfonamide is sourced from PubChem (CID 135075477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).