4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine

C15H23NOS — CID 151558877

IUPAC4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine
SMILESCc1ccc(SC(C)C(C)N2CCOCC2)cc1
InChIInChI=1S/C15H23NOS/c1-12-4-6-15(7-5-12)18-14(3)13(2)16-8-10-17-11-9-16/h4-7,13-14H,8-11H2,1-3H3
InChIKeyQCBAYOPKSVXRSA-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.20
Rot. Bonds4

About 4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine

4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine (PubChem CID 151558877) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine
PubChem CID151558877
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine
SMILESCc1ccc(SC(C)C(C)N2CCOCC2)cc1
InChIInChI=1S/C15H23NOS/c1-12-4-6-15(7-5-12)18-14(3)13(2)16-8-10-17-11-9-16/h4-7,13-14H,8-11H2,1-3H3
InChIKeyQCBAYOPKSVXRSA-UHFFFAOYSA-N
XLogP3.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine?
The IUPAC name of 4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine (CID 151558877) is 4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine.
What is the SMILES notation for 4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine?
The canonical SMILES for 4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine is Cc1ccc(SC(C)C(C)N2CCOCC2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine?
The InChIKey is QCBAYOPKSVXRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12-4-6-15(7-5-12)18-14(3)13(2)16-8-10-17-11-9-16/h4-7,13-14H,8-11H2,1-3H3.
What are the key properties of 4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine?
4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine has a molecular weight of 265.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)sulfanylbutan-2-yl]morpholine is sourced from PubChem (CID 151558877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).