(2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol

C13H27NO2S — CID 100926884

IUPAC(2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol
SMILESCCC(C)(O)[C@H](CSC(C)C)N1CCOCC1
InChIInChI=1S/C13H27NO2S/c1-5-13(4,15)12(10-17-11(2)3)14-6-8-16-9-7-14/h11-12,15H,5-10H2,1-4H3/t12-,13?/m0/s1
InChIKeyKDVOKICSGJTUOZ-UEWDXFNNSA-N
MW261.43 g/mol
LogP1.99
Rot. Bonds6

About (2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol

(2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol (PubChem CID 100926884) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is (2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol
PubChem CID100926884
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name(2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol
SMILESCCC(C)(O)[C@H](CSC(C)C)N1CCOCC1
InChIInChI=1S/C13H27NO2S/c1-5-13(4,15)12(10-17-11(2)3)14-6-8-16-9-7-14/h11-12,15H,5-10H2,1-4H3/t12-,13?/m0/s1
InChIKeyKDVOKICSGJTUOZ-UEWDXFNNSA-N
XLogP1.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol?
The IUPAC name of (2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol (CID 100926884) is (2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol.
What is the SMILES notation for (2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol?
The canonical SMILES for (2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol is CCC(C)(O)[C@H](CSC(C)C)N1CCOCC1.
What is the InChIKey of (2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol?
The InChIKey is KDVOKICSGJTUOZ-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-5-13(4,15)12(10-17-11(2)3)14-6-8-16-9-7-14/h11-12,15H,5-10H2,1-4H3/t12-,13?/m0/s1.
What are the key properties of (2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol?
(2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol has a molecular weight of 261.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol is sourced from PubChem (CID 100926884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).