N,N-diethyl-4-(2-methylpropylsulfinyl)aniline

C14H23NOS — CID 53343812

IUPACN,N-diethyl-4-(2-methylpropylsulfinyl)aniline
SMILESCCN(CC)c1ccc(S(=O)CC(C)C)cc1
InChIInChI=1S/C14H23NOS/c1-5-15(6-2)13-7-9-14(10-8-13)17(16)11-12(3)4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyISCFMBQPCGNPCU-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.30
Rot. Bonds6

About N,N-diethyl-4-(2-methylpropylsulfinyl)aniline

N,N-diethyl-4-(2-methylpropylsulfinyl)aniline (PubChem CID 53343812) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N,N-diethyl-4-(2-methylpropylsulfinyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(2-methylpropylsulfinyl)aniline
PubChem CID53343812
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN,N-diethyl-4-(2-methylpropylsulfinyl)aniline
SMILESCCN(CC)c1ccc(S(=O)CC(C)C)cc1
InChIInChI=1S/C14H23NOS/c1-5-15(6-2)13-7-9-14(10-8-13)17(16)11-12(3)4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyISCFMBQPCGNPCU-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-methylpropylsulfinyl)aniline?
The IUPAC name of N,N-diethyl-4-(2-methylpropylsulfinyl)aniline (CID 53343812) is N,N-diethyl-4-(2-methylpropylsulfinyl)aniline.
What is the SMILES notation for N,N-diethyl-4-(2-methylpropylsulfinyl)aniline?
The canonical SMILES for N,N-diethyl-4-(2-methylpropylsulfinyl)aniline is CCN(CC)c1ccc(S(=O)CC(C)C)cc1.
What is the InChIKey of N,N-diethyl-4-(2-methylpropylsulfinyl)aniline?
The InChIKey is ISCFMBQPCGNPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-15(6-2)13-7-9-14(10-8-13)17(16)11-12(3)4/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of N,N-diethyl-4-(2-methylpropylsulfinyl)aniline?
N,N-diethyl-4-(2-methylpropylsulfinyl)aniline has a molecular weight of 253.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-methylpropylsulfinyl)aniline is sourced from PubChem (CID 53343812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).