5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol

C15H23NO2S — CID 162788352

IUPAC5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol
SMILESCCCCCc1cc(O)cc(O)c1C1CSCCN1
InChIInChI=1S/C15H23NO2S/c1-2-3-4-5-11-8-12(17)9-14(18)15(11)13-10-19-7-6-16-13/h8-9,13,16-18H,2-7,10H2,1H3
InChIKeyZLOXCTKPGVUSLL-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.21
Rot. Bonds5

About 5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol

5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol (PubChem CID 162788352) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol.

Molecular Properties

Compound Name5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol
PubChem CID162788352
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol
SMILESCCCCCc1cc(O)cc(O)c1C1CSCCN1
InChIInChI=1S/C15H23NO2S/c1-2-3-4-5-11-8-12(17)9-14(18)15(11)13-10-19-7-6-16-13/h8-9,13,16-18H,2-7,10H2,1H3
InChIKeyZLOXCTKPGVUSLL-UHFFFAOYSA-N
XLogP3.21
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-pentyl-4-piperidin-2-ylbenzene-1,3-diol
CID 162788353
4-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 153373534
5-heptadecyl-4-methylbenzene-1,3-diol
CID 123730698
4-chloro-3,5-diheptylphenol
CID 67689522
2,6-di(tridecyl)benzene-1,4-diol
CID 19033571
2,6-di(undecyl)benzene-1,4-diol
CID 139946395
4-tricosylbenzene-1,3-diol
CID 101133990
4-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;prop-1-ene
CID 153373533
3-(2,4-dihydroxy-6-pentylphenyl)morpholine-4-carbaldehyde
CID 162788357
2-tridecylbenzene-1,4-diol
CID 19033717
5-pentyl-4-propan-2-yloxybenzene-1,3-diol
CID 118547749
4,5-didecylbenzene-1,2-diol
CID 15667809

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol?
The IUPAC name of 5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol (CID 162788352) is 5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol.
What is the SMILES notation for 5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol?
The canonical SMILES for 5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol is CCCCCc1cc(O)cc(O)c1C1CSCCN1.
What is the InChIKey of 5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol?
The InChIKey is ZLOXCTKPGVUSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-2-3-4-5-11-8-12(17)9-14(18)15(11)13-10-19-7-6-16-13/h8-9,13,16-18H,2-7,10H2,1H3.
What are the key properties of 5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol?
5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol has a molecular weight of 281.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol is sourced from PubChem (CID 162788352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).