(4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone

C12H17N3O3S2 — CID 81245914

IUPAC(4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1cnccc1N
InChIInChI=1S/C12H17N3O3S2/c1-2-20(17,18)11-8-19-6-5-15(11)12(16)9-7-14-4-3-10(9)13/h3-4,7,11H,2,5-6,8H2,1H3,(H2,13,14)
InChIKeyVEENVUVHVGOQKO-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.61
Rot. Bonds3

About (4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone

(4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone (PubChem CID 81245914) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
PubChem CID81245914
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name(4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1cnccc1N
InChIInChI=1S/C12H17N3O3S2/c1-2-20(17,18)11-8-19-6-5-15(11)12(16)9-7-14-4-3-10(9)13/h3-4,7,11H,2,5-6,8H2,1H3,(H2,13,14)
InChIKeyVEENVUVHVGOQKO-UHFFFAOYSA-N
XLogP0.61
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-5-chloro-4-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 114923975
(4-amino-3-bromophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66378521
(3-bromo-2-fluorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107952634
(4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66384069
(2,4-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107723282
(5-bromo-2-fluorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66377955
(2-bromo-4-fluorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66378146
(2,5-dichloro-4-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 114918642
(2,6-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107689435
(4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66377184
(6-amino-5-chloro-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376616
5-(3-ethylsulfonylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
CID 66377198

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The IUPAC name of (4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone (CID 81245914) is (4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone is CCS(=O)(=O)C1CSCCN1C(=O)c1cnccc1N.
What is the InChIKey of (4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The InChIKey is VEENVUVHVGOQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-2-20(17,18)11-8-19-6-5-15(11)12(16)9-7-14-4-3-10(9)13/h3-4,7,11H,2,5-6,8H2,1H3,(H2,13,14).
What are the key properties of (4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
(4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone has a molecular weight of 315.42 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 81245914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).