4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine

C18H37NO2S — CID 138857567

IUPAC4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine
SMILESCCCCCCSCC(CCCCC)OCN1CCOCC1
InChIInChI=1S/C18H37NO2S/c1-3-5-7-9-15-22-16-18(10-8-6-4-2)21-17-19-11-13-20-14-12-19/h18H,3-17H2,1-2H3
InChIKeyZQHARASDOGHOMW-UHFFFAOYSA-N
MW331.57 g/mol
LogP4.56
Rot. Bonds14

About 4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine

4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine (PubChem CID 138857567) has the molecular formula C18H37NO2S and a molecular weight of 331.57 g/mol. Its IUPAC name is 4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine.

Molecular Properties

Compound Name4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine
PubChem CID138857567
Molecular FormulaC18H37NO2S
Molecular Weight331.57 g/mol
Exact Mass331.25
IUPAC Name4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine
SMILESCCCCCCSCC(CCCCC)OCN1CCOCC1
InChIInChI=1S/C18H37NO2S/c1-3-5-7-9-15-22-16-18(10-8-6-4-2)21-17-19-11-13-20-14-12-19/h18H,3-17H2,1-2H3
InChIKeyZQHARASDOGHOMW-UHFFFAOYSA-N
XLogP4.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-butylsulfanyloctan-2-yloxymethyl)piperidine
CID 138377056
1-(1-propylsulfanyloctan-2-yloxymethyl)piperidine
CID 46850715
4-(hexylsulfanylmethyl)morpholine
CID 141157858
(2-decoxy-3-dodecylsulfanylpropoxy)-morpholin-4-ylphosphinic acid
CID 58776122
4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine
CID 45378825
4-hexadecan-8-ylmorpholine
CID 126489366
2-ethoxy-3-hexadecylsulfanylpropan-1-ol
CID 14282492
(2R)-1-morpholin-4-ylnonan-2-ol
CID 15188058
morpholin-4-ylmethyl hexadecanoate
CID 86303252
[14-decanoyloxy-1,15-bis(hexylsulfanyl)-8-hydroxypentadecan-2-yl] decanoate
CID 171487417
hexadecan-7-yl 4-[3-(2-hexyldecoxy)-3-oxopropyl]sulfanyl-2-(3-morpholin-4-ylpropylcarbamoyl)butanoate
CID 171634338
heptadecan-9-yl 2-[(3-hexoxy-3-oxopropyl)sulfanylmethyl]-4-(3-morpholin-4-ylpropylamino)-4-oxobutanoate
CID 171634332

Frequently Asked Questions

What is the IUPAC name of 4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine?
The IUPAC name of 4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine (CID 138857567) is 4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine.
What is the SMILES notation for 4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine?
The canonical SMILES for 4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine is CCCCCCSCC(CCCCC)OCN1CCOCC1.
What is the InChIKey of 4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine?
The InChIKey is ZQHARASDOGHOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2S/c1-3-5-7-9-15-22-16-18(10-8-6-4-2)21-17-19-11-13-20-14-12-19/h18H,3-17H2,1-2H3.
What are the key properties of 4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine?
4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine has a molecular weight of 331.57 g/mol, XLogP of 4.56, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine is sourced from PubChem (CID 138857567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).