ethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate

C13H25NO3S — CID 174809298

IUPACethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate
SMILESCCOC(=O)CCCC([C@@H](C)S)N1CCOCC1
InChIInChI=1S/C13H25NO3S/c1-3-17-13(15)6-4-5-12(11(2)18)14-7-9-16-10-8-14/h11-12,18H,3-10H2,1-2H3/t11-,12?/m1/s1
InChIKeyMRWIUFCALHZFGH-JHJMLUEUSA-N
MW275.41 g/mol
LogP1.74
Rot. Bonds7

About ethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate

ethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate (PubChem CID 174809298) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is ethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate.

Molecular Properties

Compound Nameethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate
PubChem CID174809298
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Nameethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate
SMILESCCOC(=O)CCCC([C@@H](C)S)N1CCOCC1
InChIInChI=1S/C13H25NO3S/c1-3-17-13(15)6-4-5-12(11(2)18)14-7-9-16-10-8-14/h11-12,18H,3-10H2,1-2H3/t11-,12?/m1/s1
InChIKeyMRWIUFCALHZFGH-JHJMLUEUSA-N
XLogP1.74
TPSA38.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate
CID 5125434
diethyl 3-methylheptanedioate
CID 121008602
diethyl 2-methylhexanedioate
CID 568427
(3-ethoxy-3-oxopropyl) morpholine-4-carboxylate
CID 118111278
ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate
CID 102474197
ethyl 2-morpholin-4-ylnonanoate;hydrochloride
CID 117066801
diethyl hexanedioate
CID 160747628
ethyl 5-ethylheptanoate
CID 57319942
ethyl 4-piperidin-1-ylpentanoate
CID 67188448
ethyl 17-methyloctadecanoate
CID 122524767

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate?
The IUPAC name of ethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate (CID 174809298) is ethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate.
What is the SMILES notation for ethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate?
The canonical SMILES for ethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate is CCOC(=O)CCCC([C@@H](C)S)N1CCOCC1.
What is the InChIKey of ethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate?
The InChIKey is MRWIUFCALHZFGH-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-3-17-13(15)6-4-5-12(11(2)18)14-7-9-16-10-8-14/h11-12,18H,3-10H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of ethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate?
ethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate has a molecular weight of 275.41 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-5-morpholin-4-yl-6-sulfanylheptanoate is sourced from PubChem (CID 174809298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).