trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane

C17H25NO2SSi — CID 101388735

IUPACtrimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane
SMILESCc1ccc(S(=O)(=O)N2CC=C([C@@H]3C[C@@H]3[Si](C)(C)C)C2)cc1
InChIInChI=1S/C17H25NO2SSi/c1-13-5-7-15(8-6-13)21(19,20)18-10-9-14(12-18)16-11-17(16)22(2,3)4/h5-9,16-17H,10-12H2,1-4H3/t16-,17-/m0/s1
InChIKeyIOLZNOHSDKYLFC-IRXDYDNUSA-N
MW335.55 g/mol
LogP3.65
Rot. Bonds4

About trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane

trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane (PubChem CID 101388735) has the molecular formula C17H25NO2SSi and a molecular weight of 335.55 g/mol. Its IUPAC name is trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane.

Molecular Properties

Compound Nametrimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane
PubChem CID101388735
Molecular FormulaC17H25NO2SSi
Molecular Weight335.55 g/mol
Exact Mass335.14
IUPAC Nametrimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane
SMILESCc1ccc(S(=O)(=O)N2CC=C([C@@H]3C[C@@H]3[Si](C)(C)C)C2)cc1
InChIInChI=1S/C17H25NO2SSi/c1-13-5-7-15(8-6-13)21(19,20)18-10-9-14(12-18)16-11-17(16)22(2,3)4/h5-9,16-17H,10-12H2,1-4H3/t16-,17-/m0/s1
InChIKeyIOLZNOHSDKYLFC-IRXDYDNUSA-N
XLogP3.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.55
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-[(3R,5R)-4-methylidene-5-(4-methylphenyl)sulfonyloxan-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 139187981
3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.2.0]octa-1(8),5-diene
CID 134866059
1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole
CID 153475099
3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 135054306
(1E,8E)-6,13-bis-(4-methylphenyl)sulfonyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1,8-diene
CID 12983128
3-(3-methylbut-2-en-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 101172518
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 86224949
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine
CID 110707656
3,6-bis-(4-methylphenyl)sulfonyl-3,6,12-triazabicyclo[6.3.1]dodeca-1(12),8,10-triene
CID 15069694

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane?
The IUPAC name of trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane (CID 101388735) is trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane.
What is the SMILES notation for trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane?
The canonical SMILES for trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane is Cc1ccc(S(=O)(=O)N2CC=C([C@@H]3C[C@@H]3[Si](C)(C)C)C2)cc1.
What is the InChIKey of trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane?
The InChIKey is IOLZNOHSDKYLFC-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H25NO2SSi/c1-13-5-7-15(8-6-13)21(19,20)18-10-9-14(12-18)16-11-17(16)22(2,3)4/h5-9,16-17H,10-12H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane?
trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane has a molecular weight of 335.55 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S,2S)-2-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopropyl]silane is sourced from PubChem (CID 101388735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).