N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide

C22H47NO3SSi — CID 71713804

IUPACN-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)[Si](C)(C)OCCCCCCN(C1CCCCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C22H47NO3SSi/c1-21(2,3)27(24,25)23(20-16-12-11-13-17-20)18-14-9-10-15-19-26-28(7,8)22(4,5)6/h20H,9-19H2,1-8H3
InChIKeyHROFUGIEXNLWDS-UHFFFAOYSA-N
MW433.78 g/mol
LogP6.33
Rot. Bonds10

About N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide

N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide (PubChem CID 71713804) has the molecular formula C22H47NO3SSi and a molecular weight of 433.78 g/mol. Its IUPAC name is N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide
PubChem CID71713804
Molecular FormulaC22H47NO3SSi
Molecular Weight433.78 g/mol
Exact Mass433.30
IUPAC NameN-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)[Si](C)(C)OCCCCCCN(C1CCCCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C22H47NO3SSi/c1-21(2,3)27(24,25)23(20-16-12-11-13-17-20)18-14-9-10-15-19-26-28(7,8)22(4,5)6/h20H,9-19H2,1-8H3
InChIKeyHROFUGIEXNLWDS-UHFFFAOYSA-N
XLogP6.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.78
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide (CID 71713804) is N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide is CC(C)(C)[Si](C)(C)OCCCCCCN(C1CCCCC1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide?
The InChIKey is HROFUGIEXNLWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO3SSi/c1-21(2,3)27(24,25)23(20-16-12-11-13-17-20)18-14-9-10-15-19-26-28(7,8)22(4,5)6/h20H,9-19H2,1-8H3.
What are the key properties of N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide?
N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide has a molecular weight of 433.78 g/mol, XLogP of 6.33, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 71713804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).