thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

C11H12F3NOS — CID 51929050

IUPACthiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccsc1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C11H12F3NOS/c12-11(13,14)9-2-1-4-15(6-9)10(16)8-3-5-17-7-8/h3,5,7,9H,1-2,4,6H2/t9-/m0/s1
InChIKeyGMPOWZIEXDJEPS-VIFPVBQESA-N
MW263.28 g/mol
LogP3.16
Rot. Bonds1

About thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 51929050) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namethiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID51929050
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Namethiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccsc1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C11H12F3NOS/c12-11(13,14)9-2-1-4-15(6-9)10(16)8-3-5-17-7-8/h3,5,7,9H,1-2,4,6H2/t9-/m0/s1
InChIKeyGMPOWZIEXDJEPS-VIFPVBQESA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 49716986
N-(4-(piperidin-1-yl)but-2-yn-1-yl)thiophene-3-carboxamide
CID 71792650
N-(tetrahydro-2H-pyran-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 71796134
(2-Propan-2-ylthiomorpholin-4-yl)-thiophen-3-ylmethanone
CID 72118345
(1-Ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone
CID 97493554
Pyrrolidin-1-yl(thiophen-3-yl)methanone
CID 12926531
1-(Thiophene-3-carbonyl)piperidine-4-carboxamide
CID 45795500
4-(2-Methoxyethyl)-1-(thiophene-3-carbonyl)piperidine
CID 53150842
(4-(((4,5-Dihydrothiazol-2-yl)thio)methyl)piperidin-1-yl)(thiophen-3-yl)methanone
CID 71801039
4-(Cyclopropylmethyl)-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidin-4-amine
CID 124076849
N,N-diethylthiophene-3-carboxamide
CID 11389776
N-[4-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 40138365

Frequently Asked Questions

What is the IUPAC name of thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 51929050) is thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1ccsc1)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is GMPOWZIEXDJEPS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12F3NOS/c12-11(13,14)9-2-1-4-15(6-9)10(16)8-3-5-17-7-8/h3,5,7,9H,1-2,4,6H2/t9-/m0/s1.
What are the key properties of thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 263.28 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 51929050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).