N-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide

C17H29NO3SSi — CID 45142384

IUPACN-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide
SMILESC=CC(CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H29NO3SSi/c1-8-15(13-21-23(6,7)17(3,4)5)18-22(19,20)16-11-9-14(2)10-12-16/h8-12,15,18H,1,13H2,2-7H3
InChIKeyODWVXAQCRXKFGV-UHFFFAOYSA-N
MW355.58 g/mol
LogP3.85
Rot. Bonds7

About N-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide

N-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide (PubChem CID 45142384) has the molecular formula C17H29NO3SSi and a molecular weight of 355.58 g/mol. Its IUPAC name is N-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide
PubChem CID45142384
Molecular FormulaC17H29NO3SSi
Molecular Weight355.58 g/mol
Exact Mass355.16
IUPAC NameN-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide
SMILESC=CC(CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H29NO3SSi/c1-8-15(13-21-23(6,7)17(3,4)5)18-22(19,20)16-11-9-14(2)10-12-16/h8-12,15,18H,1,13H2,2-7H3
InChIKeyODWVXAQCRXKFGV-UHFFFAOYSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

p-Toluenesulfonamide, N-sec-butyl-
CID 211876
N-(1-(Hydroxymethyl)propyl)-4-methylbenzenesulfonamide
CID 3692570
N-(3-methoxypropyl)-4-methylbenzenesulfonamide
CID 1728149
N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 3819693
4-methyl-N-pentan-3-ylbenzenesulfonamide
CID 3819694
(2S)-3-methyl-2-(p-tolylsulfonylamino)butanol
CID 10106521
N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide
CID 11085574
N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 3322931
N-(2-hydroxy-1-methyl-ethyl)-4-methyl-benzenesulfonamide
CID 21593365
N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 10927663
4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide
CID 12623832
N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide
CID 101421694

Frequently Asked Questions

What is the IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide (CID 45142384) is N-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide is C=CC(CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is ODWVXAQCRXKFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3SSi/c1-8-15(13-21-23(6,7)17(3,4)5)18-22(19,20)16-11-9-14(2)10-12-16/h8-12,15,18H,1,13H2,2-7H3.
What are the key properties of N-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide?
N-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 355.58 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 45142384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).