2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone

C15H25F3N2OS — CID 100859705

IUPAC2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCS[C@@H]1CCC[C@H]1N(C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C15H25F3N2OS/c1-19(12-6-3-7-13(12)22-2)10-14(21)20-8-4-5-11(9-20)15(16,17)18/h11-13H,3-10H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyBVDHTHFIKXYCJA-JHJVBQTASA-N
MW338.44 g/mol
LogP3.00
Rot. Bonds4

About 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 100859705) has the molecular formula C15H25F3N2OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID100859705
Molecular FormulaC15H25F3N2OS
Molecular Weight338.44 g/mol
Exact Mass338.16
IUPAC Name2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCS[C@@H]1CCC[C@H]1N(C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C15H25F3N2OS/c1-19(12-6-3-7-13(12)22-2)10-14(21)20-8-4-5-11(9-20)15(16,17)18/h11-13H,3-10H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyBVDHTHFIKXYCJA-JHJVBQTASA-N
XLogP3.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[methyl-[(1S,2R)-2-methylsulfanylcyclopentyl]amino]ethanone
CID 124725492
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
2-(1-aminocyclopentyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 64684265
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87014243
2-[[2-(aminomethyl)cyclopentyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438780
2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61442365
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
CID 165491183
5-bromo-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 107909095
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 120776491
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 116656471
3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one
CID 71988465

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 100859705) is 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone is CS[C@@H]1CCC[C@H]1N(C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is BVDHTHFIKXYCJA-JHJVBQTASA-N. The full InChI is InChI=1S/C15H25F3N2OS/c1-19(12-6-3-7-13(12)22-2)10-14(21)20-8-4-5-11(9-20)15(16,17)18/h11-13H,3-10H2,1-2H3/t11-,12-,13-/m1/s1.
What are the key properties of 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 338.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 100859705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).