(3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone

C13H17NO4S2 — CID 66376989

IUPAC(3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1cccc(O)c1
InChIInChI=1S/C13H17NO4S2/c1-2-20(17,18)12-9-19-7-6-14(12)13(16)10-4-3-5-11(15)8-10/h3-5,8,12,15H,2,6-7,9H2,1H3
InChIKeyPPLFPZAXGNFFKV-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.34
Rot. Bonds3

About (3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone

(3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone (PubChem CID 66376989) has the molecular formula C13H17NO4S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone
PubChem CID66376989
Molecular FormulaC13H17NO4S2
Molecular Weight315.42 g/mol
Exact Mass315.06
IUPAC Name(3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1cccc(O)c1
InChIInChI=1S/C13H17NO4S2/c1-2-20(17,18)12-9-19-7-6-14(12)13(16)10-4-3-5-11(15)8-10/h3-5,8,12,15H,2,6-7,9H2,1H3
InChIKeyPPLFPZAXGNFFKV-UHFFFAOYSA-N
XLogP1.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(chloromethyl)phenyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376942
(2,6-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107689435
(2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107723282
(4-amino-3-bromophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66378521
(3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone
CID 66375654
(3-bromo-5-chlorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107952633
(4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66377184
(3-bromo-2-fluorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107952634
5-(3-ethylsulfonylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
CID 66377198
(5-chloro-2-fluorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66377730
(2-amino-6-chloro-4-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376811
(6-amino-5-chloro-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376616

Frequently Asked Questions

What is the IUPAC name of (3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone?
The IUPAC name of (3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone (CID 66376989) is (3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone.
What is the SMILES notation for (3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone?
The canonical SMILES for (3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone is CCS(=O)(=O)C1CSCCN1C(=O)c1cccc(O)c1.
What is the InChIKey of (3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone?
The InChIKey is PPLFPZAXGNFFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S2/c1-2-20(17,18)12-9-19-7-6-14(12)13(16)10-4-3-5-11(15)8-10/h3-5,8,12,15H,2,6-7,9H2,1H3.
What are the key properties of (3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone?
(3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone has a molecular weight of 315.42 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 66376989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).