2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine

C15H23NO3S — CID 45198706

IUPAC2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine
SMILESCC(C)S(=O)(=O)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C15H23NO3S/c1-13(2)20(17,18)16-10-11-19-15(12-16)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyLXYZFDQPMKGDNV-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.06
Rot. Bonds5

About 2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine

2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine (PubChem CID 45198706) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine.

Molecular Properties

Compound Name2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine
PubChem CID45198706
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine
SMILESCC(C)S(=O)(=O)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C15H23NO3S/c1-13(2)20(17,18)16-10-11-19-15(12-16)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyLXYZFDQPMKGDNV-UHFFFAOYSA-N
XLogP2.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine?
The IUPAC name of 2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine (CID 45198706) is 2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine.
What is the SMILES notation for 2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine?
The canonical SMILES for 2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine is CC(C)S(=O)(=O)N1CCOC(CCc2ccccc2)C1.
What is the InChIKey of 2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine?
The InChIKey is LXYZFDQPMKGDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-13(2)20(17,18)16-10-11-19-15(12-16)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3.
What are the key properties of 2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine?
2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine has a molecular weight of 297.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-4-propan-2-ylsulfonylmorpholine is sourced from PubChem (CID 45198706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).