(2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone

C13H17NO5S2 — CID 107723282

IUPAC(2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C13H17NO5S2/c1-2-21(18,19)12-8-20-6-5-14(12)13(17)10-4-3-9(15)7-11(10)16/h3-4,7,12,15-16H,2,5-6,8H2,1H3
InChIKeyLAMNFMSZZKCELV-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.05
Rot. Bonds3

About (2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone

(2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone (PubChem CID 107723282) has the molecular formula C13H17NO5S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
PubChem CID107723282
Molecular FormulaC13H17NO5S2
Molecular Weight331.42 g/mol
Exact Mass331.05
IUPAC Name(2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1ccc(O)cc1O
InChIInChI=1S/C13H17NO5S2/c1-2-21(18,19)12-8-20-6-5-14(12)13(17)10-4-3-9(15)7-11(10)16/h3-4,7,12,15-16H,2,5-6,8H2,1H3
InChIKeyLAMNFMSZZKCELV-UHFFFAOYSA-N
XLogP1.05
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66377184
(3-ethylsulfonylthiomorpholin-4-yl)-(3-hydroxyphenyl)methanone
CID 66376989
(2,6-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107689435
(2-bromo-4-fluorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66378146
(5-chloro-2-fluorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66377730
(4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 103888895
4-(2,4-dihydroxybenzoyl)thiomorpholine-3-carboxylic acid
CID 82901491
(5-bromo-2-fluorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66377955
(3-bromo-2-fluorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107952634
5-(3-ethylsulfonylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
CID 66377198
(2,5-dichloro-4-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 114918642
(4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 81245914

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone (CID 107723282) is (2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone is CCS(=O)(=O)C1CSCCN1C(=O)c1ccc(O)cc1O.
What is the InChIKey of (2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The InChIKey is LAMNFMSZZKCELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S2/c1-2-21(18,19)12-8-20-6-5-14(12)13(17)10-4-3-9(15)7-11(10)16/h3-4,7,12,15-16H,2,5-6,8H2,1H3.
What are the key properties of (2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
(2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone has a molecular weight of 331.42 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 107723282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).