4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol

C15H23NO2S — CID 54911442

IUPAC4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol
SMILESCC(C)CN1CCOC(CSc2ccc(O)cc2)C1
InChIInChI=1S/C15H23NO2S/c1-12(2)9-16-7-8-18-14(10-16)11-19-15-5-3-13(17)4-6-15/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyLHZNBWVFNWRUPV-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.84
Rot. Bonds5

About 4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol

4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol (PubChem CID 54911442) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol
PubChem CID54911442
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol
SMILESCC(C)CN1CCOC(CSc2ccc(O)cc2)C1
InChIInChI=1S/C15H23NO2S/c1-12(2)9-16-7-8-18-14(10-16)11-19-15-5-3-13(17)4-6-15/h3-6,12,14,17H,7-11H2,1-2H3
InChIKeyLHZNBWVFNWRUPV-UHFFFAOYSA-N
XLogP2.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline
CID 79146285
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
4-methyl-3-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 9377017
2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine
CID 66218624
3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol
CID 66115449
4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine
CID 61468544
1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine
CID 79183022
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine
CID 66290127
4-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]phenol
CID 114399621
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol?
The IUPAC name of 4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol (CID 54911442) is 4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol.
What is the SMILES notation for 4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol?
The canonical SMILES for 4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol is CC(C)CN1CCOC(CSc2ccc(O)cc2)C1.
What is the InChIKey of 4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol?
The InChIKey is LHZNBWVFNWRUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(2)9-16-7-8-18-14(10-16)11-19-15-5-3-13(17)4-6-15/h3-6,12,14,17H,7-11H2,1-2H3.
What are the key properties of 4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol?
4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol has a molecular weight of 281.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol is sourced from PubChem (CID 54911442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).