(4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine

C12H22F3NO3S — CID 124830184

IUPAC(4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine
SMILESCO[C@H](C)CS(=O)(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1
InChIInChI=1S/C12H22F3NO3S/c1-9(19-4)7-20(17,18)16-6-5-10(12(13,14)15)11(2,3)8-16/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyDJOXZJHTZBUKGR-NXEZZACHSA-N
MW317.37 g/mol
LogP2.26
Rot. Bonds4

About (4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine

(4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine (PubChem CID 124830184) has the molecular formula C12H22F3NO3S and a molecular weight of 317.37 g/mol. Its IUPAC name is (4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine
PubChem CID124830184
Molecular FormulaC12H22F3NO3S
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name(4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine
SMILESCO[C@H](C)CS(=O)(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1
InChIInChI=1S/C12H22F3NO3S/c1-9(19-4)7-20(17,18)16-6-5-10(12(13,14)15)11(2,3)8-16/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyDJOXZJHTZBUKGR-NXEZZACHSA-N
XLogP2.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine?
The IUPAC name of (4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine (CID 124830184) is (4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for (4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for (4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine is CO[C@H](C)CS(=O)(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1.
What is the InChIKey of (4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine?
The InChIKey is DJOXZJHTZBUKGR-NXEZZACHSA-N. The full InChI is InChI=1S/C12H22F3NO3S/c1-9(19-4)7-20(17,18)16-6-5-10(12(13,14)15)11(2,3)8-16/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of (4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine?
(4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine has a molecular weight of 317.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(2R)-2-methoxypropyl]sulfonyl-3,3-dimethyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 124830184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).