4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline

C14H23F2NO2SSi — CID 159311324

IUPAC4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline
SMILESCCC[SiH2]CCCN(C)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H23F2NO2SSi/c1-3-10-21-11-4-9-17(2)12-5-7-13(8-6-12)20(18,19)14(15)16/h5-8,14H,3-4,9-11,21H2,1-2H3
InChIKeySCQZQKOLGXKKEF-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.92
Rot. Bonds9

About 4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline

4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline (PubChem CID 159311324) has the molecular formula C14H23F2NO2SSi and a molecular weight of 335.49 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline
PubChem CID159311324
Molecular FormulaC14H23F2NO2SSi
Molecular Weight335.49 g/mol
Exact Mass335.12
IUPAC Name4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline
SMILESCCC[SiH2]CCCN(C)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H23F2NO2SSi/c1-3-10-21-11-4-9-17(2)12-5-7-13(8-6-12)20(18,19)14(15)16/h5-8,14H,3-4,9-11,21H2,1-2H3
InChIKeySCQZQKOLGXKKEF-UHFFFAOYSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol
CID 61146533
3-[4-[methyl(3-propylsilylpropyl)amino]phenyl]sulfonylpropanoic acid
CID 160573051
N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine
CID 60870242
N-butyl-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]butan-1-amine
CID 112814799
N,3-dimethyl-1,1-dioxo-N-(3-propylsilylpropyl)-1-benzothiophen-5-amine
CID 160573048
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 133429859
2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol
CID 61146204
4-(difluoromethylsulfonyl)-N-heptan-4-ylaniline
CID 43683888
N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 62585680
N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 55241222
5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203360

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline (CID 159311324) is 4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline is CCC[SiH2]CCCN(C)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline?
The InChIKey is SCQZQKOLGXKKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2SSi/c1-3-10-21-11-4-9-17(2)12-5-7-13(8-6-12)20(18,19)14(15)16/h5-8,14H,3-4,9-11,21H2,1-2H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline?
4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline has a molecular weight of 335.49 g/mol, XLogP of 2.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline is sourced from PubChem (CID 159311324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).