1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one

C15H21NO4S — CID 146310720

IUPAC1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one
SMILESCC(=O)CC1(C)CN(S(=O)(=O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C15H21NO4S/c1-12-4-6-14(7-5-12)21(18,19)16-8-9-20-15(3,11-16)10-13(2)17/h4-7H,8-11H2,1-3H3
InChIKeyVUWNEDLSLVTDGG-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.75
Rot. Bonds4

About 1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one

1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one (PubChem CID 146310720) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one
PubChem CID146310720
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one
SMILESCC(=O)CC1(C)CN(S(=O)(=O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C15H21NO4S/c1-12-4-6-14(7-5-12)21(18,19)16-8-9-20-15(3,11-16)10-13(2)17/h4-7H,8-11H2,1-3H3
InChIKeyVUWNEDLSLVTDGG-UHFFFAOYSA-N
XLogP1.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one?
The IUPAC name of 1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one (CID 146310720) is 1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one.
What is the SMILES notation for 1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one?
The canonical SMILES for 1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one is CC(=O)CC1(C)CN(S(=O)(=O)c2ccc(C)cc2)CCO1.
What is the InChIKey of 1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one?
The InChIKey is VUWNEDLSLVTDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-12-4-6-14(7-5-12)21(18,19)16-8-9-20-15(3,11-16)10-13(2)17/h4-7H,8-11H2,1-3H3.
What are the key properties of 1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one?
1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one has a molecular weight of 311.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]propan-2-one is sourced from PubChem (CID 146310720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).