N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C16H21F3N2OS — CID 119555497

IUPACN-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1cccc(C(F)(F)F)c1)NCCC1CCCNC1
InChIInChI=1S/C16H21F3N2OS/c17-16(18,19)13-4-1-5-14(9-13)23-11-15(22)21-8-6-12-3-2-7-20-10-12/h1,4-5,9,12,20H,2-3,6-8,10-11H2,(H,21,22)
InChIKeyVUMCOYYTYLWBDZ-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.30
Rot. Bonds6

About N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 119555497) has the molecular formula C16H21F3N2OS and a molecular weight of 346.42 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID119555497
Molecular FormulaC16H21F3N2OS
Molecular Weight346.42 g/mol
Exact Mass346.13
IUPAC NameN-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1cccc(C(F)(F)F)c1)NCCC1CCCNC1
InChIInChI=1S/C16H21F3N2OS/c17-16(18,19)13-4-1-5-14(9-13)23-11-15(22)21-8-6-12-3-2-7-20-10-12/h1,4-5,9,12,20H,2-3,6-8,10-11H2,(H,21,22)
InChIKeyVUMCOYYTYLWBDZ-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119558465
2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119558141
N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride
CID 119445325
N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119557662
2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534534
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide
CID 119557143
N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119979230
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556141
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(2-piperidin-3-ylethyl)benzamide
CID 119556818

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 119555497) is N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is O=C(CSc1cccc(C(F)(F)F)c1)NCCC1CCCNC1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is VUMCOYYTYLWBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2OS/c17-16(18,19)13-4-1-5-14(9-13)23-11-15(22)21-8-6-12-3-2-7-20-10-12/h1,4-5,9,12,20H,2-3,6-8,10-11H2,(H,21,22).
What are the key properties of N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 346.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 119555497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).