[4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol

C13H19NO4S — CID 126831492

IUPAC[4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol
SMILESCCc1ccccc1S(=O)(=O)N1CCOCC1CO
InChIInChI=1S/C13H19NO4S/c1-2-11-5-3-4-6-13(11)19(16,17)14-7-8-18-10-12(14)9-15/h3-6,12,15H,2,7-10H2,1H3
InChIKeyWCCZNWSNJUWSDW-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.63
Rot. Bonds4

About [4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol

[4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol (PubChem CID 126831492) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is [4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol
PubChem CID126831492
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name[4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol
SMILESCCc1ccccc1S(=O)(=O)N1CCOCC1CO
InChIInChI=1S/C13H19NO4S/c1-2-11-5-3-4-6-13(11)19(16,17)14-7-8-18-10-12(14)9-15/h3-6,12,15H,2,7-10H2,1H3
InChIKeyWCCZNWSNJUWSDW-UHFFFAOYSA-N
XLogP0.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethylmorpholin-4-yl)sulfonyl-2-methylbenzoic acid
CID 63743985
[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol
CID 43579020
[(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110876197
1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 120712080
[3-(3-ethylmorpholin-4-yl)sulfonyl-2-pyridinyl]hydrazine
CID 43613582
2-[4-(2-ethylphenyl)morpholin-3-yl]ethanol
CID 117009287
2-[4-(2,6-diethylphenyl)morpholin-3-yl]ethanol
CID 117009293
4-ethyl-3-(3-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 43542006
4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773841
1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725529
2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43612964
5-bromo-2-(3-ethylmorpholin-4-yl)sulfonylaniline
CID 43611692

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol?
The IUPAC name of [4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol (CID 126831492) is [4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol.
What is the SMILES notation for [4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol?
The canonical SMILES for [4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol is CCc1ccccc1S(=O)(=O)N1CCOCC1CO.
What is the InChIKey of [4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol?
The InChIKey is WCCZNWSNJUWSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-11-5-3-4-6-13(11)19(16,17)14-7-8-18-10-12(14)9-15/h3-6,12,15H,2,7-10H2,1H3.
What are the key properties of [4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol?
[4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol has a molecular weight of 285.36 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol is sourced from PubChem (CID 126831492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).