2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline

C17H28N2S — CID 3056524

IUPAC2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline
SMILESCCSc1ccccc1N(C)CCCN1CCCCC1
InChIInChI=1S/C17H28N2S/c1-3-20-17-11-6-5-10-16(17)18(2)12-9-15-19-13-7-4-8-14-19/h5-6,10-11H,3-4,7-9,12-15H2,1-2H3
InChIKeyQFTAVWLZUWVDQK-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.11
Rot. Bonds7

About 2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline

2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline (PubChem CID 3056524) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline
PubChem CID3056524
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline
SMILESCCSc1ccccc1N(C)CCCN1CCCCC1
InChIInChI=1S/C17H28N2S/c1-3-20-17-11-6-5-10-16(17)18(2)12-9-15-19-13-7-4-8-14-19/h5-6,10-11H,3-4,7-9,12-15H2,1-2H3
InChIKeyQFTAVWLZUWVDQK-UHFFFAOYSA-N
XLogP4.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline?
The IUPAC name of 2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline (CID 3056524) is 2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline.
What is the SMILES notation for 2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline?
The canonical SMILES for 2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline is CCSc1ccccc1N(C)CCCN1CCCCC1.
What is the InChIKey of 2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline?
The InChIKey is QFTAVWLZUWVDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-3-20-17-11-6-5-10-16(17)18(2)12-9-15-19-13-7-4-8-14-19/h5-6,10-11H,3-4,7-9,12-15H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline?
2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline has a molecular weight of 292.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline is sourced from PubChem (CID 3056524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).