4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine

C14H21NOS — CID 177159658

IUPAC4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine
SMILESCc1cc(SN2CCOCC2)ccc1C(C)C
InChIInChI=1S/C14H21NOS/c1-11(2)14-5-4-13(10-12(14)3)17-15-6-8-16-9-7-15/h4-5,10-11H,6-9H2,1-3H3
InChIKeyLUQZXGOOFPKKGE-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.46
Rot. Bonds3

About 4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine

4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine (PubChem CID 177159658) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine.

Molecular Properties

Compound Name4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine
PubChem CID177159658
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine
SMILESCc1cc(SN2CCOCC2)ccc1C(C)C
InChIInChI=1S/C14H21NOS/c1-11(2)14-5-4-13(10-12(14)3)17-15-6-8-16-9-7-15/h4-5,10-11H,6-9H2,1-3H3
InChIKeyLUQZXGOOFPKKGE-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine?
The IUPAC name of 4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine (CID 177159658) is 4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine.
What is the SMILES notation for 4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine?
The canonical SMILES for 4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine is Cc1cc(SN2CCOCC2)ccc1C(C)C.
What is the InChIKey of 4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine?
The InChIKey is LUQZXGOOFPKKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(2)14-5-4-13(10-12(14)3)17-15-6-8-16-9-7-15/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine?
4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine has a molecular weight of 251.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-propan-2-ylphenyl)sulfanylmorpholine is sourced from PubChem (CID 177159658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).