(4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide

C12H23F3N2OS — CID 153419072

IUPAC(4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide
SMILESCC(C[C@@H](C)C1CCN(CC(F)(F)F)CC1)S(N)=O
InChIInChI=1S/C12H23F3N2OS/c1-9(7-10(2)19(16)18)11-3-5-17(6-4-11)8-12(13,14)15/h9-11H,3-8,16H2,1-2H3/t9-,10?,19?/m1/s1
InChIKeyMUDCYLPXJOYCDF-BAKRONSKSA-N
MW300.39 g/mol
LogP2.30
Rot. Bonds5

About (4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide

(4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide (PubChem CID 153419072) has the molecular formula C12H23F3N2OS and a molecular weight of 300.39 g/mol. Its IUPAC name is (4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide.

Molecular Properties

Compound Name(4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide
PubChem CID153419072
Molecular FormulaC12H23F3N2OS
Molecular Weight300.39 g/mol
Exact Mass300.15
IUPAC Name(4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide
SMILESCC(C[C@@H](C)C1CCN(CC(F)(F)F)CC1)S(N)=O
InChIInChI=1S/C12H23F3N2OS/c1-9(7-10(2)19(16)18)11-3-5-17(6-4-11)8-12(13,14)15/h9-11H,3-8,16H2,1-2H3/t9-,10?,19?/m1/s1
InChIKeyMUDCYLPXJOYCDF-BAKRONSKSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Isobutyl-4-{1-[(2,2,2-trifluoroethyl)sulfonyl]-3-pyrrolidinyl}piperidine
CID 45249519
4-Propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59921674
(3R,4R)-4-methyl-3-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 117882305
(3R,4R)-3,4-dimethyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 117884544
4-Pentan-3-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 142124886
4-Methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine
CID 166968000
1-(2,2-Difluoroethylsulfonyl)-4-propan-2-ylpiperidine
CID 176666245
4-Propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 177300390
1-(2-methylpropyl)-4-[(3S)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidin-3-yl]piperidine
CID 26404136
1-(2-methylpropyl)-4-[(3R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidin-3-yl]piperidine
CID 26404139
3-[3-(Trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide
CID 112689741
3-[4-(Trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide
CID 115666083

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide?
The IUPAC name of (4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide (CID 153419072) is (4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide.
What is the SMILES notation for (4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide?
The canonical SMILES for (4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide is CC(C[C@@H](C)C1CCN(CC(F)(F)F)CC1)S(N)=O.
What is the InChIKey of (4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide?
The InChIKey is MUDCYLPXJOYCDF-BAKRONSKSA-N. The full InChI is InChI=1S/C12H23F3N2OS/c1-9(7-10(2)19(16)18)11-3-5-17(6-4-11)8-12(13,14)15/h9-11H,3-8,16H2,1-2H3/t9-,10?,19?/m1/s1.
What are the key properties of (4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide?
(4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide has a molecular weight of 300.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentane-2-sulfinamide is sourced from PubChem (CID 153419072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).