4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride

C13H20ClNO3S — CID 3029441

IUPAC4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
SMILESCl.O=S(=O)(CCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C13H19NO3S.ClH/c15-18(16,13-5-2-1-3-6-13)12-4-7-14-8-10-17-11-9-14;/h1-3,5-6H,4,7-12H2;1H
InChIKeyMWWFDHRGEPYNMG-UHFFFAOYSA-N
MW305.83 g/mol
LogP1.60
Rot. Bonds5

About 4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride

4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride (PubChem CID 3029441) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
PubChem CID3029441
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC Name4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
SMILESCl.O=S(=O)(CCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C13H19NO3S.ClH/c15-18(16,13-5-2-1-3-6-13)12-4-7-14-8-10-17-11-9-14;/h1-3,5-6H,4,7-12H2;1H
InChIKeyMWWFDHRGEPYNMG-UHFFFAOYSA-N
XLogP1.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride 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

1-[2-(benzenesulfonyl)ethyl]pyrrolidine;hydrochloride
CID 117068077
2-[3-(benzenesulfonyl)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187414
4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine
CID 1099236
1-[[1-[3-(benzenesulfonyl)propyl]piperidin-4-yl]methyl]azepane
CID 55922029
1-[4-(3-morpholin-4-ylpropylsulfonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 46889204
CID 5478391
CID 5478391
(2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine
CID 95048529
1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone
CID 82165517
iron(3+);tris(3-morpholin-4-ylpropane-1-sulfonate)
CID 158409877
sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid
CID 172999805
7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 86774820
N'-[2-(benzenesulfonyl)ethyl]morpholine-4-carboximidamide
CID 111065084

Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride (CID 3029441) is 4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride is Cl.O=S(=O)(CCCN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride?
The InChIKey is MWWFDHRGEPYNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S.ClH/c15-18(16,13-5-2-1-3-6-13)12-4-7-14-8-10-17-11-9-14;/h1-3,5-6H,4,7-12H2;1H.
What are the key properties of 4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride?
4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride has a molecular weight of 305.83 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride is sourced from PubChem (CID 3029441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).