[6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine

C11H17N3O4S3 — CID 66383105

IUPAC[6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine
SMILESCS(=O)(=O)C1CSCCN1S(=O)(=O)c1ccc(CN)cn1
InChIInChI=1S/C11H17N3O4S3/c1-20(15,16)11-8-19-5-4-14(11)21(17,18)10-3-2-9(6-12)7-13-10/h2-3,7,11H,4-6,8,12H2,1H3
InChIKeyPWKOMIQAYRABBZ-UHFFFAOYSA-N
MW351.48 g/mol
LogP-0.35
Rot. Bonds4

About [6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine

[6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine (PubChem CID 66383105) has the molecular formula C11H17N3O4S3 and a molecular weight of 351.48 g/mol. Its IUPAC name is [6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine
PubChem CID66383105
Molecular FormulaC11H17N3O4S3
Molecular Weight351.48 g/mol
Exact Mass351.04
IUPAC Name[6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine
SMILESCS(=O)(=O)C1CSCCN1S(=O)(=O)c1ccc(CN)cn1
InChIInChI=1S/C11H17N3O4S3/c1-20(15,16)11-8-19-5-4-14(11)21(17,18)10-3-2-9(6-12)7-13-10/h2-3,7,11H,4-6,8,12H2,1H3
InChIKeyPWKOMIQAYRABBZ-UHFFFAOYSA-N
XLogP-0.35
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 ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine (CID 66383105) is [6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine is CS(=O)(=O)C1CSCCN1S(=O)(=O)c1ccc(CN)cn1.
What is the InChIKey of [6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine?
The InChIKey is PWKOMIQAYRABBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S3/c1-20(15,16)11-8-19-5-4-14(11)21(17,18)10-3-2-9(6-12)7-13-10/h2-3,7,11H,4-6,8,12H2,1H3.
What are the key properties of [6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine?
[6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine has a molecular weight of 351.48 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylsulfonylthiomorpholin-4-yl)sulfonyl-3-pyridinyl]methanamine is sourced from PubChem (CID 66383105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).