(3R)-3-(2-tert-butylsulfanylphenyl)morpholine

C14H21NOS — CID 171192913

IUPAC(3R)-3-(2-tert-butylsulfanylphenyl)morpholine
SMILESCC(C)(C)Sc1ccccc1[C@@H]1COCCN1
InChIInChI=1S/C14H21NOS/c1-14(2,3)17-13-7-5-4-6-11(13)12-10-16-9-8-15-12/h4-7,12,15H,8-10H2,1-3H3/t12-/m0/s1
InChIKeyGLOUFYYXMUEFML-LBPRGKRZSA-N
MW251.39 g/mol
LogP3.24
Rot. Bonds2

About (3R)-3-(2-tert-butylsulfanylphenyl)morpholine

(3R)-3-(2-tert-butylsulfanylphenyl)morpholine (PubChem CID 171192913) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is (3R)-3-(2-tert-butylsulfanylphenyl)morpholine.

Molecular Properties

Compound Name(3R)-3-(2-tert-butylsulfanylphenyl)morpholine
PubChem CID171192913
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name(3R)-3-(2-tert-butylsulfanylphenyl)morpholine
SMILESCC(C)(C)Sc1ccccc1[C@@H]1COCCN1
InChIInChI=1S/C14H21NOS/c1-14(2,3)17-13-7-5-4-6-11(13)12-10-16-9-8-15-12/h4-7,12,15H,8-10H2,1-3H3/t12-/m0/s1
InChIKeyGLOUFYYXMUEFML-LBPRGKRZSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-tert-butylsulfanylphenyl)morpholine?
The IUPAC name of (3R)-3-(2-tert-butylsulfanylphenyl)morpholine (CID 171192913) is (3R)-3-(2-tert-butylsulfanylphenyl)morpholine.
What is the SMILES notation for (3R)-3-(2-tert-butylsulfanylphenyl)morpholine?
The canonical SMILES for (3R)-3-(2-tert-butylsulfanylphenyl)morpholine is CC(C)(C)Sc1ccccc1[C@@H]1COCCN1.
What is the InChIKey of (3R)-3-(2-tert-butylsulfanylphenyl)morpholine?
The InChIKey is GLOUFYYXMUEFML-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NOS/c1-14(2,3)17-13-7-5-4-6-11(13)12-10-16-9-8-15-12/h4-7,12,15H,8-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (3R)-3-(2-tert-butylsulfanylphenyl)morpholine?
(3R)-3-(2-tert-butylsulfanylphenyl)morpholine has a molecular weight of 251.39 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-tert-butylsulfanylphenyl)morpholine is sourced from PubChem (CID 171192913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).