4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine

C15H23NOS — CID 175419722

IUPAC4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine
SMILESCC(C)Cc1ccc(SCN2CCOCC2)cc1
InChIInChI=1S/C15H23NOS/c1-13(2)11-14-3-5-15(6-4-14)18-12-16-7-9-17-10-8-16/h3-6,13H,7-12H2,1-2H3
InChIKeyIIKJQDBJWLJNPR-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.27
Rot. Bonds5

About 4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine

4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine (PubChem CID 175419722) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine.

Molecular Properties

Compound Name4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine
PubChem CID175419722
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine
SMILESCC(C)Cc1ccc(SCN2CCOCC2)cc1
InChIInChI=1S/C15H23NOS/c1-13(2)11-14-3-5-15(6-4-14)18-12-16-7-9-17-10-8-16/h3-6,13H,7-12H2,1-2H3
InChIKeyIIKJQDBJWLJNPR-UHFFFAOYSA-N
XLogP3.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 121452302
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol
CID 79217563
5-(2-methylpropyl)-2-morpholin-4-ylaniline
CID 18952283
N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 78874200
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(4-morpholin-4-ylbutyl)guanidine
CID 111298689
[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2-oxazol-3-yl]methyl-(morpholin-4-ylmethyl)diazene
CID 158086149
4-[2-methyl-3-(4-prop-1-en-2-ylphenyl)propyl]morpholine
CID 19911279
4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane
CID 143457208
(2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
CID 67069266
4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981558

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine?
The IUPAC name of 4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine (CID 175419722) is 4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine.
What is the SMILES notation for 4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine?
The canonical SMILES for 4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine is CC(C)Cc1ccc(SCN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine?
The InChIKey is IIKJQDBJWLJNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-13(2)11-14-3-5-15(6-4-14)18-12-16-7-9-17-10-8-16/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine?
4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine has a molecular weight of 265.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine is sourced from PubChem (CID 175419722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).