4-[1-(benzenesulfonyl)propan-2-yl]morpholine

C13H19NO3S — CID 2827602

IUPAC4-[1-(benzenesulfonyl)propan-2-yl]morpholine
SMILESCC(CS(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H19NO3S/c1-12(14-7-9-17-10-8-14)11-18(15,16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyHDGMKHPJUAIZBL-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.18
Rot. Bonds4

About 4-[1-(benzenesulfonyl)propan-2-yl]morpholine

4-[1-(benzenesulfonyl)propan-2-yl]morpholine (PubChem CID 2827602) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)propan-2-yl]morpholine
PubChem CID2827602
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-[1-(benzenesulfonyl)propan-2-yl]morpholine
SMILESCC(CS(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H19NO3S/c1-12(14-7-9-17-10-8-14)11-18(15,16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyHDGMKHPJUAIZBL-UHFFFAOYSA-N
XLogP1.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 588543
4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
4-[2-(Phenylsulfonyl)ethyl]thiomorpholine
CID 2818766
4-[4-(Phenylthio)butyl]morpholine hydrochloride
CID 2993739
3-(4-Morpholinyl)-3-oxopropyl phenyl sulfone
CID 772989
2-[(4-Fluorophenyl)sulfonyl]-1-morpholino-1-ethanone
CID 1486407
2,6-Dimethyl-4-[4-(phenylthio)butyl]morpholine hydrochloride
CID 2993382
4-{2-[2-(Phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2993677
1-(2,6-Dimethylmorpholin-4-yl)-3-(phenylsulfonyl)propan-1-one
CID 3163454
4-(2-((4-Fluorophenyl)sulfonyl)ethyl)morpholine
CID 214242
Sulfoxide, 2-morpholinoethyl p-tolyl, hydrochloride
CID 214237
Morpholine, 4-(2-((3-methylphenyl)sulfinyl)ethyl)-, hydrochloride
CID 3042251

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)propan-2-yl]morpholine?
The IUPAC name of 4-[1-(benzenesulfonyl)propan-2-yl]morpholine (CID 2827602) is 4-[1-(benzenesulfonyl)propan-2-yl]morpholine.
What is the SMILES notation for 4-[1-(benzenesulfonyl)propan-2-yl]morpholine?
The canonical SMILES for 4-[1-(benzenesulfonyl)propan-2-yl]morpholine is CC(CS(=O)(=O)c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[1-(benzenesulfonyl)propan-2-yl]morpholine?
The InChIKey is HDGMKHPJUAIZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-12(14-7-9-17-10-8-14)11-18(15,16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 4-[1-(benzenesulfonyl)propan-2-yl]morpholine?
4-[1-(benzenesulfonyl)propan-2-yl]morpholine has a molecular weight of 269.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)propan-2-yl]morpholine is sourced from PubChem (CID 2827602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).