2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline

C15H22F2N2S — CID 43307604

IUPAC2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCC(Nc1ccccc1SC(F)F)C1CCN(C)CC1
InChIInChI=1S/C15H22F2N2S/c1-11(12-7-9-19(2)10-8-12)18-13-5-3-4-6-14(13)20-15(16)17/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyONZIDWFDSRBKPW-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.14
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline

2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline (PubChem CID 43307604) has the molecular formula C15H22F2N2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
PubChem CID43307604
Molecular FormulaC15H22F2N2S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCC(Nc1ccccc1SC(F)F)C1CCN(C)CC1
InChIInChI=1S/C15H22F2N2S/c1-11(12-7-9-19(2)10-8-12)18-13-5-3-4-6-14(13)20-15(16)17/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyONZIDWFDSRBKPW-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43307621
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CID 43307464
N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propoxyaniline
CID 43682215
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 43694021
N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 43734494
N-(1-cyclopropylethyl)-2-propan-2-ylaniline
CID 43192462
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
2-(difluoromethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
CID 95769191
2-(difluoromethylsulfanyl)-N-methylaniline
CID 28573572
3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43698690
2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 55100178
N-(1-cyclopentylethyl)-2-prop-2-enylsulfanylaniline
CID 55191581

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline (CID 43307604) is 2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline is CC(Nc1ccccc1SC(F)F)C1CCN(C)CC1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The InChIKey is ONZIDWFDSRBKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2S/c1-11(12-7-9-19(2)10-8-12)18-13-5-3-4-6-14(13)20-15(16)17/h3-6,11-12,15,18H,7-10H2,1-2H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline has a molecular weight of 300.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 43307604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).