(2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol

C14H21NO2S — CID 131843974

IUPAC(2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol
SMILESCC(C)(C)S[C@H]1CN(c2ccccc2)C[C@H](O)O1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)18-13-10-15(9-12(16)17-13)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3/t12-,13+/m1/s1
InChIKeyAEZKOFDGLYHOPR-OLZOCXBDSA-N
MW267.39 g/mol
LogP2.70
Rot. Bonds2

About (2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol

(2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol (PubChem CID 131843974) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol.

Molecular Properties

Compound Name(2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol
PubChem CID131843974
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol
SMILESCC(C)(C)S[C@H]1CN(c2ccccc2)C[C@H](O)O1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)18-13-10-15(9-12(16)17-13)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3/t12-,13+/m1/s1
InChIKeyAEZKOFDGLYHOPR-OLZOCXBDSA-N
XLogP2.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol?
The IUPAC name of (2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol (CID 131843974) is (2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol.
What is the SMILES notation for (2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol?
The canonical SMILES for (2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol is CC(C)(C)S[C@H]1CN(c2ccccc2)C[C@H](O)O1.
What is the InChIKey of (2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol?
The InChIKey is AEZKOFDGLYHOPR-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(2,3)18-13-10-15(9-12(16)17-13)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol?
(2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol has a molecular weight of 267.39 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-6-tert-butylsulfanyl-4-phenylmorpholin-2-ol is sourced from PubChem (CID 131843974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).