(E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine

C21H37NO3SSi — CID 11466636

IUPAC(E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine
SMILESCC(C)[Si](O[C@@H](/C=C/S(=O)(=O)c1ccccc1)CCCN)(C(C)C)C(C)C
InChIInChI=1S/C21H37NO3SSi/c1-17(2)27(18(3)4,19(5)6)25-20(11-10-15-22)14-16-26(23,24)21-12-8-7-9-13-21/h7-9,12-14,16-20H,10-11,15,22H2,1-6H3/b16-14+/t20-/m1/s1
InChIKeyXKRCMDOWOYKBES-KETLNSEPSA-N
MW411.68 g/mol
LogP5.27
Rot. Bonds11

About (E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine

(E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine (PubChem CID 11466636) has the molecular formula C21H37NO3SSi and a molecular weight of 411.68 g/mol. Its IUPAC name is (E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine.

Molecular Properties

Compound Name(E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine
PubChem CID11466636
Molecular FormulaC21H37NO3SSi
Molecular Weight411.68 g/mol
Exact Mass411.23
IUPAC Name(E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine
SMILESCC(C)[Si](O[C@@H](/C=C/S(=O)(=O)c1ccccc1)CCCN)(C(C)C)C(C)C
InChIInChI=1S/C21H37NO3SSi/c1-17(2)27(18(3)4,19(5)6)25-20(11-10-15-22)14-16-26(23,24)21-12-8-7-9-13-21/h7-9,12-14,16-20H,10-11,15,22H2,1-6H3/b16-14+/t20-/m1/s1
InChIKeyXKRCMDOWOYKBES-KETLNSEPSA-N
XLogP5.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.68
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine?
The IUPAC name of (E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine (CID 11466636) is (E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine.
What is the SMILES notation for (E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine?
The canonical SMILES for (E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine is CC(C)[Si](O[C@@H](/C=C/S(=O)(=O)c1ccccc1)CCCN)(C(C)C)C(C)C.
What is the InChIKey of (E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine?
The InChIKey is XKRCMDOWOYKBES-KETLNSEPSA-N. The full InChI is InChI=1S/C21H37NO3SSi/c1-17(2)27(18(3)4,19(5)6)25-20(11-10-15-22)14-16-26(23,24)21-12-8-7-9-13-21/h7-9,12-14,16-20H,10-11,15,22H2,1-6H3/b16-14+/t20-/m1/s1.
What are the key properties of (E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine?
(E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine has a molecular weight of 411.68 g/mol, XLogP of 5.27, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine is sourced from PubChem (CID 11466636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).