2-(3-bromophenyl)-4-propylsulfonylmorpholine

C13H18BrNO3S — CID 110364447

IUPAC2-(3-bromophenyl)-4-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C13H18BrNO3S/c1-2-8-19(16,17)15-6-7-18-13(10-15)11-4-3-5-12(14)9-11/h3-5,9,13H,2,6-8,10H2,1H3
InChIKeyXTWCQUMMJBKCSF-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.56
Rot. Bonds4

About 2-(3-bromophenyl)-4-propylsulfonylmorpholine

2-(3-bromophenyl)-4-propylsulfonylmorpholine (PubChem CID 110364447) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-propylsulfonylmorpholine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-propylsulfonylmorpholine
PubChem CID110364447
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name2-(3-bromophenyl)-4-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C13H18BrNO3S/c1-2-8-19(16,17)15-6-7-18-13(10-15)11-4-3-5-12(14)9-11/h3-5,9,13H,2,6-8,10H2,1H3
InChIKeyXTWCQUMMJBKCSF-UHFFFAOYSA-N
XLogP2.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-4-methylsulfonylmorpholine
CID 110364445
2-(3-bromophenyl)-4-methylmorpholine
CID 82184638
2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine
CID 110364143
2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine
CID 138051484
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474
2-(3-chlorophenyl)-N-propylmorpholine-4-sulfonamide
CID 110609463
4-benzylsulfonyl-2-(4-bromophenyl)morpholine
CID 47958795
2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine
CID 110356630
1-(3-bromophenyl)-4-propylsulfonylpiperazine
CID 113079446
(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
CID 99640543

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-propylsulfonylmorpholine?
The IUPAC name of 2-(3-bromophenyl)-4-propylsulfonylmorpholine (CID 110364447) is 2-(3-bromophenyl)-4-propylsulfonylmorpholine.
What is the SMILES notation for 2-(3-bromophenyl)-4-propylsulfonylmorpholine?
The canonical SMILES for 2-(3-bromophenyl)-4-propylsulfonylmorpholine is CCCS(=O)(=O)N1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of 2-(3-bromophenyl)-4-propylsulfonylmorpholine?
The InChIKey is XTWCQUMMJBKCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-2-8-19(16,17)15-6-7-18-13(10-15)11-4-3-5-12(14)9-11/h3-5,9,13H,2,6-8,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-4-propylsulfonylmorpholine?
2-(3-bromophenyl)-4-propylsulfonylmorpholine has a molecular weight of 348.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-propylsulfonylmorpholine is sourced from PubChem (CID 110364447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).