2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline

C16H17F3N2S2 — CID 163241656

IUPAC2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline
SMILESFC(F)(F)c1ccc(SNc2ccccc2N2CCCCC2)s1
InChIInChI=1S/C16H17F3N2S2/c17-16(18,19)14-8-9-15(22-14)23-20-12-6-2-3-7-13(12)21-10-4-1-5-11-21/h2-3,6-9,20H,1,4-5,10-11H2
InChIKeySTTNBYOSPJHGHX-UHFFFAOYSA-N
MW358.45 g/mol
LogP5.88
Rot. Bonds4

About 2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline

2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline (PubChem CID 163241656) has the molecular formula C16H17F3N2S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline
PubChem CID163241656
Molecular FormulaC16H17F3N2S2
Molecular Weight358.45 g/mol
Exact Mass358.08
IUPAC Name2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline
SMILESFC(F)(F)c1ccc(SNc2ccccc2N2CCCCC2)s1
InChIInChI=1S/C16H17F3N2S2/c17-16(18,19)14-8-9-15(22-14)23-20-12-6-2-3-7-13(12)21-10-4-1-5-11-21/h2-3,6-9,20H,1,4-5,10-11H2
InChIKeySTTNBYOSPJHGHX-UHFFFAOYSA-N
XLogP5.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline
CID 163241638
N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
CID 174970195
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 74226495
N-(2-pyrrolidin-1-ylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39095289
2,2-difluoro-N-(2-piperidin-1-ylphenyl)acetamide
CID 103600704
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
N-butyl-2-piperidin-1-ylaniline;toluene
CID 174677024
3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide
CID 43654348
5-acetyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 11255926
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol
CID 81413196
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline?
The IUPAC name of 2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline (CID 163241656) is 2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline.
What is the SMILES notation for 2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline?
The canonical SMILES for 2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline is FC(F)(F)c1ccc(SNc2ccccc2N2CCCCC2)s1.
What is the InChIKey of 2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline?
The InChIKey is STTNBYOSPJHGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2S2/c17-16(18,19)14-8-9-15(22-14)23-20-12-6-2-3-7-13(12)21-10-4-1-5-11-21/h2-3,6-9,20H,1,4-5,10-11H2.
What are the key properties of 2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline?
2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline has a molecular weight of 358.45 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[5-(trifluoromethyl)thiophen-2-yl]sulfanylaniline is sourced from PubChem (CID 163241656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).