(NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide

C21H33NO2SSi — CID 46197395

IUPAC(NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2\CCC=C2[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C21H33NO2SSi/c1-15(2)26(16(3)4,17(5)6)21-10-8-9-20(21)22-25(23,24)19-13-11-18(7)12-14-19/h10-17H,8-9H2,1-7H3/b22-20+
InChIKeyRNQYPMHMVUBIPT-LSDHQDQOSA-N
MW391.65 g/mol
LogP6.06
Rot. Bonds6

About (NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide

(NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide (PubChem CID 46197395) has the molecular formula C21H33NO2SSi and a molecular weight of 391.65 g/mol. Its IUPAC name is (NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide
PubChem CID46197395
Molecular FormulaC21H33NO2SSi
Molecular Weight391.65 g/mol
Exact Mass391.20
IUPAC Name(NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2\CCC=C2[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C21H33NO2SSi/c1-15(2)26(16(3)4,17(5)6)21-10-8-9-20(21)22-25(23,24)19-13-11-18(7)12-14-19/h10-17H,8-9H2,1-7H3/b22-20+
InChIKeyRNQYPMHMVUBIPT-LSDHQDQOSA-N
XLogP6.06
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.65
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-4-methyl-N-[2-[1-tri(propan-2-yl)silyloxyheptyl]cyclopent-2-en-1-ylidene]benzenesulfonamide
CID 71734992
(NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide
CID 177452105
(NE)-4-methyl-N-(1-propan-2-ylazepan-2-ylidene)benzenesulfonamide
CID 162651850
(NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide
CID 6144298
4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
CID 3022075
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608
(NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide
CID 24973844
N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 3079975
6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one
CID 132524969
N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide
CID 175535624
2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide
CID 155074154
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide (CID 46197395) is (NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C2\CCC=C2[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of (NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide?
The InChIKey is RNQYPMHMVUBIPT-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H33NO2SSi/c1-15(2)26(16(3)4,17(5)6)21-10-8-9-20(21)22-25(23,24)19-13-11-18(7)12-14-19/h10-17H,8-9H2,1-7H3/b22-20+.
What are the key properties of (NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide?
(NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide has a molecular weight of 391.65 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide is sourced from PubChem (CID 46197395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).