1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol

C15H23NO4S — CID 60874201

IUPAC1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol
SMILESCCC(O)c1cccc(S(=O)(=O)N2CCOCC2CC)c1
InChIInChI=1S/C15H23NO4S/c1-3-13-11-20-9-8-16(13)21(18,19)14-7-5-6-12(10-14)15(17)4-2/h5-7,10,13,15,17H,3-4,8-9,11H2,1-2H3
InChIKeyFUPWFDNRXNDGDT-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.93
Rot. Bonds5

About 1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol

1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol (PubChem CID 60874201) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol.

Molecular Properties

Compound Name1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol
PubChem CID60874201
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol
SMILESCCC(O)c1cccc(S(=O)(=O)N2CCOCC2CC)c1
InChIInChI=1S/C15H23NO4S/c1-3-13-11-20-9-8-16(13)21(18,19)14-7-5-6-12(10-14)15(17)4-2/h5-7,10,13,15,17H,3-4,8-9,11H2,1-2H3
InChIKeyFUPWFDNRXNDGDT-UHFFFAOYSA-N
XLogP1.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 62124171
2-bromo-5-(3-ethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43612960
4-[4-(bromomethyl)phenyl]sulfonyl-3-ethylmorpholine
CID 65480190
2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43612964
1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 60873819
3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60823840
3-(3-ethylmorpholin-4-yl)sulfonyl-2-methylbenzoic acid
CID 63743985
4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine
CID 43662640
1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol
CID 114799335
3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine
CID 43613589
3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607306
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol?
The IUPAC name of 1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol (CID 60874201) is 1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol.
What is the SMILES notation for 1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol?
The canonical SMILES for 1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol is CCC(O)c1cccc(S(=O)(=O)N2CCOCC2CC)c1.
What is the InChIKey of 1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol?
The InChIKey is FUPWFDNRXNDGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-13-11-20-9-8-16(13)21(18,19)14-7-5-6-12(10-14)15(17)4-2/h5-7,10,13,15,17H,3-4,8-9,11H2,1-2H3.
What are the key properties of 1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol?
1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol has a molecular weight of 313.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol is sourced from PubChem (CID 60874201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).