2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine

C16H25NO3S — CID 110364143

IUPAC2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)N1CCOC(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H25NO3S/c1-4-11-21(18,19)17-9-10-20-16(12-17)15-7-5-14(6-8-15)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyJSMCKWFATCZYCD-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.92
Rot. Bonds5

About 2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine

2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine (PubChem CID 110364143) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine
PubChem CID110364143
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)N1CCOC(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H25NO3S/c1-4-11-21(18,19)17-9-10-20-16(12-17)15-7-5-14(6-8-15)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyJSMCKWFATCZYCD-UHFFFAOYSA-N
XLogP2.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)-4-propylsulfonylmorpholine
CID 110364447
2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine
CID 110327247
2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine
CID 138051484
3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid
CID 60952065
2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110364078
N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide
CID 110364135
ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364133
2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide
CID 110609493
2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326607
4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine
CID 121134912
methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364132
2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326810

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine?
The IUPAC name of 2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine (CID 110364143) is 2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine is CCCS(=O)(=O)N1CCOC(c2ccc(C(C)C)cc2)C1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine?
The InChIKey is JSMCKWFATCZYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-4-11-21(18,19)17-9-10-20-16(12-17)15-7-5-14(6-8-15)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine?
2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine has a molecular weight of 311.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine is sourced from PubChem (CID 110364143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).