(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine

C14H22N2OS — CID 25058453

IUPAC(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine
SMILESN[C@H](CCN1CCOCC1)CSc1ccccc1
InChIInChI=1S/C14H22N2OS/c15-13(6-7-16-8-10-17-11-9-16)12-18-14-4-2-1-3-5-14/h1-5,13H,6-12,15H2/t13-/m1/s1
InChIKeyXVHVBUNXLXLXKG-CYBMUJFWSA-N
MW266.41 g/mol
LogP1.83
Rot. Bonds6

About (2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine

(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine (PubChem CID 25058453) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is (2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine.

Molecular Properties

Compound Name(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine
PubChem CID25058453
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine
SMILESN[C@H](CCN1CCOCC1)CSc1ccccc1
InChIInChI=1S/C14H22N2OS/c15-13(6-7-16-8-10-17-11-9-16)12-18-14-4-2-1-3-5-14/h1-5,13H,6-12,15H2/t13-/m1/s1
InChIKeyXVHVBUNXLXLXKG-CYBMUJFWSA-N
XLogP1.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine?
The IUPAC name of (2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine (CID 25058453) is (2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine.
What is the SMILES notation for (2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine?
The canonical SMILES for (2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine is N[C@H](CCN1CCOCC1)CSc1ccccc1.
What is the InChIKey of (2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine?
The InChIKey is XVHVBUNXLXLXKG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2OS/c15-13(6-7-16-8-10-17-11-9-16)12-18-14-4-2-1-3-5-14/h1-5,13H,6-12,15H2/t13-/m1/s1.
What are the key properties of (2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine?
(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine has a molecular weight of 266.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-amine is sourced from PubChem (CID 25058453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).