5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine

C11H17N3O4S3 — CID 66383129

IUPAC5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine
SMILESCCS(=O)(=O)C1CSCCN1S(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C11H17N3O4S3/c1-2-20(15,16)11-8-19-6-5-14(11)21(17,18)9-3-4-10(12)13-7-9/h3-4,7,11H,2,5-6,8H2,1H3,(H2,12,13)
InChIKeyUJMAUPBTGHSPTP-UHFFFAOYSA-N
MW351.48 g/mol
LogP0.16
Rot. Bonds4

About 5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine

5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine (PubChem CID 66383129) has the molecular formula C11H17N3O4S3 and a molecular weight of 351.48 g/mol. Its IUPAC name is 5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine
PubChem CID66383129
Molecular FormulaC11H17N3O4S3
Molecular Weight351.48 g/mol
Exact Mass351.04
IUPAC Name5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine
SMILESCCS(=O)(=O)C1CSCCN1S(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C11H17N3O4S3/c1-2-20(15,16)11-8-19-6-5-14(11)21(17,18)9-3-4-10(12)13-7-9/h3-4,7,11H,2,5-6,8H2,1H3,(H2,12,13)
InChIKeyUJMAUPBTGHSPTP-UHFFFAOYSA-N
XLogP0.16
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylphenol
CID 66376997
[4-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylthiophen-2-yl]methanol
CID 66377401
4-[[5-(chloromethyl)-1H-pyrrol-3-yl]sulfonyl]-3-ethylsulfonylthiomorpholine
CID 66376586
4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one
CID 63604435
3-(3-methylsulfonylthiomorpholin-4-yl)sulfonylaniline
CID 66383927
(2-amino-5-chloro-4-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 114923975
4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine
CID 66375651
5-(3-methylthiomorpholin-4-yl)sulfonylpyridine-2-carbonitrile
CID 113239652
3-ethylsulfonyl-4-propylsulfonylthiomorpholine
CID 66376427
5-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-2-carbonitrile
CID 115487759
[6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine
CID 66383105
2-(3-ethylsulfonylthiomorpholin-4-yl)aniline
CID 66383708

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine?
The IUPAC name of 5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine (CID 66383129) is 5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine is CCS(=O)(=O)C1CSCCN1S(=O)(=O)c1ccc(N)nc1.
What is the InChIKey of 5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine?
The InChIKey is UJMAUPBTGHSPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S3/c1-2-20(15,16)11-8-19-6-5-14(11)21(17,18)9-3-4-10(12)13-7-9/h3-4,7,11H,2,5-6,8H2,1H3,(H2,12,13).
What are the key properties of 5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine?
5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine has a molecular weight of 351.48 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfonylthiomorpholin-4-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 66383129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).