amino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol

C8H15F3N2OS — CID 170016631

IUPACamino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol
SMILESC[C@@H]1CC[C@@H](SC(F)(F)F)N(C(N)O)C1
InChIInChI=1S/C8H15F3N2OS/c1-5-2-3-6(15-8(9,10)11)13(4-5)7(12)14/h5-7,14H,2-4,12H2,1H3/t5-,6-,7?/m1/s1
InChIKeyRBWKDMQSORFOHZ-CQMSUOBXSA-N
MW244.28 g/mol
LogP1.53
Rot. Bonds2

About amino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol

amino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol (PubChem CID 170016631) has the molecular formula C8H15F3N2OS and a molecular weight of 244.28 g/mol. Its IUPAC name is amino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol.

Molecular Properties

Compound Nameamino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol
PubChem CID170016631
Molecular FormulaC8H15F3N2OS
Molecular Weight244.28 g/mol
Exact Mass244.09
IUPAC Nameamino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol
SMILESC[C@@H]1CC[C@@H](SC(F)(F)F)N(C(N)O)C1
InChIInChI=1S/C8H15F3N2OS/c1-5-2-3-6(15-8(9,10)11)13(4-5)7(12)14/h5-7,14H,2-4,12H2,1H3/t5-,6-,7?/m1/s1
InChIKeyRBWKDMQSORFOHZ-CQMSUOBXSA-N
XLogP1.53
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol?
The IUPAC name of amino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol (CID 170016631) is amino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol.
What is the SMILES notation for amino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol?
The canonical SMILES for amino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol is C[C@@H]1CC[C@@H](SC(F)(F)F)N(C(N)O)C1.
What is the InChIKey of amino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol?
The InChIKey is RBWKDMQSORFOHZ-CQMSUOBXSA-N. The full InChI is InChI=1S/C8H15F3N2OS/c1-5-2-3-6(15-8(9,10)11)13(4-5)7(12)14/h5-7,14H,2-4,12H2,1H3/t5-,6-,7?/m1/s1.
What are the key properties of amino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol?
amino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol has a molecular weight of 244.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[(2R,5R)-5-methyl-2-(trifluoromethylsulfanyl)piperidin-1-yl]methanol is sourced from PubChem (CID 170016631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).