N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide

C15H25NO3SSi — CID 101359717

IUPACN-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide
SMILESC=C(C[Si](C)(C)C)C(CO)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H25NO3SSi/c1-12-6-8-14(9-7-12)20(18,19)16-15(10-17)13(2)11-21(3,4)5/h6-9,15-17H,2,10-11H2,1,3-5H3
InChIKeyZTBOYGMWMPPQQJ-UHFFFAOYSA-N
MW327.52 g/mol
LogP2.53
Rot. Bonds7

About N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide

N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide (PubChem CID 101359717) has the molecular formula C15H25NO3SSi and a molecular weight of 327.52 g/mol. Its IUPAC name is N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide
PubChem CID101359717
Molecular FormulaC15H25NO3SSi
Molecular Weight327.52 g/mol
Exact Mass327.13
IUPAC NameN-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide
SMILESC=C(C[Si](C)(C)C)C(CO)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H25NO3SSi/c1-12-6-8-14(9-7-12)20(18,19)16-15(10-17)13(2)11-21(3,4)5/h6-9,15-17H,2,10-11H2,1,3-5H3
InChIKeyZTBOYGMWMPPQQJ-UHFFFAOYSA-N
XLogP2.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
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

N-(2-Hydroxyethyl)-4-methylbenzenesulfonamide
CID 1895595
N-(1-Hydroxymethyl-2-methylsulfanyl-ethyl)-4-methyl-benzenesulfonamide
CID 4681731
N-(1-(Hydroxymethyl)propyl)-4-methylbenzenesulfonamide
CID 3692570
Carbonic anhydrase inhibitors (CAIs), 3
CID 129012496
N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 3819693
(2S)-3-methyl-2-(p-tolylsulfonylamino)butanol
CID 10106521
N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide
CID 11085574
(S)-2-[[(4-methylphenyl)sulfonyl]amino]-1-hexanol
CID 44575064
N-(2-hydroxypropyl)-4-methylbenzenesulfonamide
CID 3136025
4-cyano-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
CID 25263444
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methylbenzenesulfonamide
CID 25263445
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 25263446

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide (CID 101359717) is N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide is C=C(C[Si](C)(C)C)C(CO)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is ZTBOYGMWMPPQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3SSi/c1-12-6-8-14(9-7-12)20(18,19)16-15(10-17)13(2)11-21(3,4)5/h6-9,15-17H,2,10-11H2,1,3-5H3.
What are the key properties of N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide?
N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 327.52 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101359717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).