5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine

C9H12BrN3O2S2 — CID 62142835

IUPAC5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C9H12BrN3O2S2/c10-7-5-8(9(11)12-6-7)17(14,15)13-1-3-16-4-2-13/h5-6H,1-4H2,(H2,11,12)
InChIKeyKTIVBPRBBBLDNT-UHFFFAOYSA-N
MW338.25 g/mol
LogP1.16
Rot. Bonds2

About 5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine

5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 62142835) has the molecular formula C9H12BrN3O2S2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine
PubChem CID62142835
Molecular FormulaC9H12BrN3O2S2
Molecular Weight338.25 g/mol
Exact Mass336.96
IUPAC Name5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C9H12BrN3O2S2/c10-7-5-8(9(11)12-6-7)17(14,15)13-1-3-16-4-2-13/h5-6H,1-4H2,(H2,11,12)
InChIKeyKTIVBPRBBBLDNT-UHFFFAOYSA-N
XLogP1.16
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine (CID 62142835) is 5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine is Nc1ncc(Br)cc1S(=O)(=O)N1CCSCC1.
What is the InChIKey of 5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is KTIVBPRBBBLDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2S2/c10-7-5-8(9(11)12-6-7)17(14,15)13-1-3-16-4-2-13/h5-6H,1-4H2,(H2,11,12).
What are the key properties of 5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine?
5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 338.25 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 62142835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).