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

C14H29NO2S — CID 11108595

IUPAC(2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol
SMILESCCC(O)(CC)[C@H](CSC(C)C)N1CCOCC1
InChIInChI=1S/C14H29NO2S/c1-5-14(16,6-2)13(11-18-12(3)4)15-7-9-17-10-8-15/h12-13,16H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyVYELIGFVKLFPTJ-ZDUSSCGKSA-N
MW275.46 g/mol
LogP2.38
Rot. Bonds7

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

(2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol (PubChem CID 11108595) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is (2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol.

Molecular Properties

Compound Name(2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol
PubChem CID11108595
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name(2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol
SMILESCCC(O)(CC)[C@H](CSC(C)C)N1CCOCC1
InChIInChI=1S/C14H29NO2S/c1-5-14(16,6-2)13(11-18-12(3)4)15-7-9-17-10-8-15/h12-13,16H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyVYELIGFVKLFPTJ-ZDUSSCGKSA-N
XLogP2.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol?
The IUPAC name of (2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol (CID 11108595) is (2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol.
What is the SMILES notation for (2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol?
The canonical SMILES for (2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol is CCC(O)(CC)[C@H](CSC(C)C)N1CCOCC1.
What is the InChIKey of (2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol?
The InChIKey is VYELIGFVKLFPTJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-5-14(16,6-2)13(11-18-12(3)4)15-7-9-17-10-8-15/h12-13,16H,5-11H2,1-4H3/t13-/m0/s1.
What are the key properties of (2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol?
(2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol has a molecular weight of 275.46 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-ethyl-2-morpholin-4-yl-1-propan-2-ylsulfanylpentan-3-ol is sourced from PubChem (CID 11108595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).