N,N-diethyl-4-(propylsilylmethylsulfonyl)aniline

C14H25NO2SSi — CID 161411518

IUPACN,N-diethyl-4-(propylsilylmethylsulfonyl)aniline
SMILESCCC[SiH2]CS(=O)(=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C14H25NO2SSi/c1-4-11-19-12-18(16,17)14-9-7-13(8-10-14)15(5-2)6-3/h7-10H,4-6,11-12,19H2,1-3H3
InChIKeyRXUPNRCUCOJCDL-UHFFFAOYSA-N
MW299.51 g/mol
LogP2.26
Rot. Bonds8

About N,N-diethyl-4-(propylsilylmethylsulfonyl)aniline

N,N-diethyl-4-(propylsilylmethylsulfonyl)aniline (PubChem CID 161411518) has the molecular formula C14H25NO2SSi and a molecular weight of 299.51 g/mol. Its IUPAC name is N,N-diethyl-4-(propylsilylmethylsulfonyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(propylsilylmethylsulfonyl)aniline
PubChem CID161411518
Molecular FormulaC14H25NO2SSi
Molecular Weight299.51 g/mol
Exact Mass299.14
IUPAC NameN,N-diethyl-4-(propylsilylmethylsulfonyl)aniline
SMILESCCC[SiH2]CS(=O)(=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C14H25NO2SSi/c1-4-11-19-12-18(16,17)14-9-7-13(8-10-14)15(5-2)6-3/h7-10H,4-6,11-12,19H2,1-3H3
InChIKeyRXUPNRCUCOJCDL-UHFFFAOYSA-N
XLogP2.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.51
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(propylsilylmethylsulfonyl)aniline?
The IUPAC name of N,N-diethyl-4-(propylsilylmethylsulfonyl)aniline (CID 161411518) is N,N-diethyl-4-(propylsilylmethylsulfonyl)aniline.
What is the SMILES notation for N,N-diethyl-4-(propylsilylmethylsulfonyl)aniline?
The canonical SMILES for N,N-diethyl-4-(propylsilylmethylsulfonyl)aniline is CCC[SiH2]CS(=O)(=O)c1ccc(N(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-4-(propylsilylmethylsulfonyl)aniline?
The InChIKey is RXUPNRCUCOJCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2SSi/c1-4-11-19-12-18(16,17)14-9-7-13(8-10-14)15(5-2)6-3/h7-10H,4-6,11-12,19H2,1-3H3.
What are the key properties of N,N-diethyl-4-(propylsilylmethylsulfonyl)aniline?
N,N-diethyl-4-(propylsilylmethylsulfonyl)aniline has a molecular weight of 299.51 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(propylsilylmethylsulfonyl)aniline is sourced from PubChem (CID 161411518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).