N-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C14H25F3N2OS — CID 114627009

IUPACN-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)CSC1CCNCC1
InChIInChI=1S/C14H25F3N2OS/c1-3-11(4-2)19(10-14(15,16)17)13(20)9-21-12-5-7-18-8-6-12/h11-12,18H,3-10H2,1-2H3
InChIKeyWXIYWVCKENINOP-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.05
Rot. Bonds7

About N-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

N-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114627009) has the molecular formula C14H25F3N2OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114627009
Molecular FormulaC14H25F3N2OS
Molecular Weight326.43 g/mol
Exact Mass326.16
IUPAC NameN-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)CSC1CCNCC1
InChIInChI=1S/C14H25F3N2OS/c1-3-11(4-2)19(10-14(15,16)17)13(20)9-21-12-5-7-18-8-6-12/h11-12,18H,3-10H2,1-2H3
InChIKeyWXIYWVCKENINOP-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 114627009) is N-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is CCC(CC)N(CC(F)(F)F)C(=O)CSC1CCNCC1.
What is the InChIKey of N-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WXIYWVCKENINOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2OS/c1-3-11(4-2)19(10-14(15,16)17)13(20)9-21-12-5-7-18-8-6-12/h11-12,18H,3-10H2,1-2H3.
What are the key properties of N-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
N-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 326.43 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114627009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).