2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide

C14H23F3N2OS — CID 114626833

IUPAC2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CSC1CCNCC1)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H23F3N2OS/c15-14(16,17)11-3-1-2-4-12(11)19-13(20)9-21-10-5-7-18-8-6-10/h10-12,18H,1-9H2,(H,19,20)
InChIKeyLTTJSCXRPNXUSP-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.71
Rot. Bonds4

About 2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide

2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 114626833) has the molecular formula C14H23F3N2OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID114626833
Molecular FormulaC14H23F3N2OS
Molecular Weight324.41 g/mol
Exact Mass324.15
IUPAC Name2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CSC1CCNCC1)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H23F3N2OS/c15-14(16,17)11-3-1-2-4-12(11)19-13(20)9-21-10-5-7-18-8-6-10/h10-12,18H,1-9H2,(H,19,20)
InChIKeyLTTJSCXRPNXUSP-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-yloxy-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 63876723
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-cyclopentyloxy-2-piperidin-4-ylsulfanylacetamide
CID 114627981
N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114240919
6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide
CID 43712731
N-(dicyclopropylmethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627232
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 81076180
2,2-dimethyl-N-[5-(trifluoromethyl)azepan-4-yl]propanamide
CID 165487381
N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626456
3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide
CID 95153501
N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626426
2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 36813059

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide (CID 114626833) is 2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide is O=C(CSC1CCNCC1)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is LTTJSCXRPNXUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2OS/c15-14(16,17)11-3-1-2-4-12(11)19-13(20)9-21-10-5-7-18-8-6-10/h10-12,18H,1-9H2,(H,19,20).
What are the key properties of 2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 324.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 114626833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).