1-butoxy-3-morpholin-4-ylpropane-2-thiol

C11H23NO2S — CID 14937158

IUPAC1-butoxy-3-morpholin-4-ylpropane-2-thiol
SMILESCCCCOCC(S)CN1CCOCC1
InChIInChI=1S/C11H23NO2S/c1-2-3-6-14-10-11(15)9-12-4-7-13-8-5-12/h11,15H,2-10H2,1H3
InChIKeyJIWPYPRSCLTOPW-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.43
Rot. Bonds7

About 1-butoxy-3-morpholin-4-ylpropane-2-thiol

1-butoxy-3-morpholin-4-ylpropane-2-thiol (PubChem CID 14937158) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-butoxy-3-morpholin-4-ylpropane-2-thiol.

Molecular Properties

Compound Name1-butoxy-3-morpholin-4-ylpropane-2-thiol
PubChem CID14937158
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-butoxy-3-morpholin-4-ylpropane-2-thiol
SMILESCCCCOCC(S)CN1CCOCC1
InChIInChI=1S/C11H23NO2S/c1-2-3-6-14-10-11(15)9-12-4-7-13-8-5-12/h11,15H,2-10H2,1H3
InChIKeyJIWPYPRSCLTOPW-UHFFFAOYSA-N
XLogP1.43
TPSA21.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methoxybutane;4-(2-methylpropyl)morpholine
CID 163400303
4-(2-hexoxyethyl)morpholine
CID 3326674
4-[2-methyl-3-[2-(4-morpholin-4-ylbutoxy)ethoxy]propyl]morpholine
CID 10831318
1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 107263875
N-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide
CID 102069843
4-(2-bromohexyl)morpholine
CID 19907055
1-morpholin-4-ylhexan-2-amine
CID 60852253
1-[bis[6-(2-heptylundecoxy)hexyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 170028992
butane;4-(2-methylpropyl)morpholine
CID 155751822
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711
1-morpholin-4-ylheptan-2-ol
CID 15312312
3-(pentoxymethyl)-1,3-oxazolidine
CID 164576907

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-morpholin-4-ylpropane-2-thiol?
The IUPAC name of 1-butoxy-3-morpholin-4-ylpropane-2-thiol (CID 14937158) is 1-butoxy-3-morpholin-4-ylpropane-2-thiol.
What is the SMILES notation for 1-butoxy-3-morpholin-4-ylpropane-2-thiol?
The canonical SMILES for 1-butoxy-3-morpholin-4-ylpropane-2-thiol is CCCCOCC(S)CN1CCOCC1.
What is the InChIKey of 1-butoxy-3-morpholin-4-ylpropane-2-thiol?
The InChIKey is JIWPYPRSCLTOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-2-3-6-14-10-11(15)9-12-4-7-13-8-5-12/h11,15H,2-10H2,1H3.
What are the key properties of 1-butoxy-3-morpholin-4-ylpropane-2-thiol?
1-butoxy-3-morpholin-4-ylpropane-2-thiol has a molecular weight of 233.38 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-morpholin-4-ylpropane-2-thiol is sourced from PubChem (CID 14937158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).