N-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide

C19H31NO3SSi — CID 102473274

IUPACN-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C[C@H](O)[C@@H](C=C)C[Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H31NO3SSi/c1-7-13-20(14-19(21)17(8-2)15-25(4,5)6)24(22,23)18-11-9-16(3)10-12-18/h7-12,17,19,21H,1-2,13-15H2,3-6H3/t17-,19-/m0/s1
InChIKeyFIQGWMWNVFUBSX-HKUYNNGSSA-N
MW381.61 g/mol
LogP3.67
Rot. Bonds10

About N-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide

N-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 102473274) has the molecular formula C19H31NO3SSi and a molecular weight of 381.61 g/mol. Its IUPAC name is N-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID102473274
Molecular FormulaC19H31NO3SSi
Molecular Weight381.61 g/mol
Exact Mass381.18
IUPAC NameN-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C[C@H](O)[C@@H](C=C)C[Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H31NO3SSi/c1-7-13-20(14-19(21)17(8-2)15-25(4,5)6)24(22,23)18-11-9-16(3)10-12-18/h7-12,17,19,21H,1-2,13-15H2,3-6H3/t17-,19-/m0/s1
InChIKeyFIQGWMWNVFUBSX-HKUYNNGSSA-N
XLogP3.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.61
LogP ≤ 53.67
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

N-[(2R,3S)-2-hydroxy-3-phenylpent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 25016895
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetyl chloride
CID 102026013
4-methyl-N-(3-oxobutyl)-N-prop-2-enylbenzenesulfonamide
CID 102089023
4-methyl-N-[(E)-pent-2-en-4-ynyl]-N-prop-2-enylbenzenesulfonamide
CID 102262070
N-(4-hydroxybut-2-ynyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 11011363
N-(2,2-dimethyl-3-oxopropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 10494105
ethyl 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetate
CID 11587455
N-[(E)-3-(1-hydroxyethyl)oct-2-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 101365461
4-methyl-N-prop-2-enyl-N-[(2S,3S,4R)-2,3,4-tributoxyhex-5-enyl]benzenesulfonamide
CID 172518125
4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 17078760
4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide
CID 11337825
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]ethyl trifluoromethanesulfonate
CID 44632313

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide (CID 102473274) is N-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(C[C@H](O)[C@@H](C=C)C[Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is FIQGWMWNVFUBSX-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H31NO3SSi/c1-7-13-20(14-19(21)17(8-2)15-25(4,5)6)24(22,23)18-11-9-16(3)10-12-18/h7-12,17,19,21H,1-2,13-15H2,3-6H3/t17-,19-/m0/s1.
What are the key properties of N-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
N-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 381.61 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 102473274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).