N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide

C21H33NO3SSi — CID 10927663

IUPACN-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN([C@H]1C=CC[C@H]1O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H33NO3SSi/c1-8-16-22(26(23,24)18-14-12-17(2)13-15-18)19-10-9-11-20(19)25-27(6,7)21(3,4)5/h8-10,12-15,19-20H,1,11,16H2,2-7H3/t19-,20+/m0/s1
InChIKeyPZAKWPXLDLDINC-VQTJNVASSA-N
MW407.65 g/mol
LogP4.89
Rot. Bonds7

About N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide

N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 10927663) has the molecular formula C21H33NO3SSi and a molecular weight of 407.65 g/mol. Its IUPAC name is N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID10927663
Molecular FormulaC21H33NO3SSi
Molecular Weight407.65 g/mol
Exact Mass407.20
IUPAC NameN-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN([C@H]1C=CC[C@H]1O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H33NO3SSi/c1-8-16-22(26(23,24)18-14-12-17(2)13-15-18)19-10-9-11-20(19)25-27(6,7)21(3,4)5/h8-10,12-15,19-20H,1,11,16H2,2-7H3/t19-,20+/m0/s1
InChIKeyPZAKWPXLDLDINC-VQTJNVASSA-N
XLogP4.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.65
LogP ≤ 54.89
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide (CID 10927663) is N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN([C@H]1C=CC[C@H]1O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is PZAKWPXLDLDINC-VQTJNVASSA-N. The full InChI is InChI=1S/C21H33NO3SSi/c1-8-16-22(26(23,24)18-14-12-17(2)13-15-18)19-10-9-11-20(19)25-27(6,7)21(3,4)5/h8-10,12-15,19-20H,1,11,16H2,2-7H3/t19-,20+/m0/s1.
What are the key properties of N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 407.65 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 10927663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).