3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine

C9H11Cl2N3S — CID 102755362

IUPAC3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine
SMILESNc1nc(N2CCSCC2)c(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2N3S/c10-6-5-7(11)9(13-8(6)12)14-1-3-15-4-2-14/h5H,1-4H2,(H2,12,13)
InChIKeyKOQGSLWOFVBCNO-UHFFFAOYSA-N
MW264.18 g/mol
LogP2.52
Rot. Bonds1

About 3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine

3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine (PubChem CID 102755362) has the molecular formula C9H11Cl2N3S and a molecular weight of 264.18 g/mol. Its IUPAC name is 3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine
PubChem CID102755362
Molecular FormulaC9H11Cl2N3S
Molecular Weight264.18 g/mol
Exact Mass263.01
IUPAC Name3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine
SMILESNc1nc(N2CCSCC2)c(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2N3S/c10-6-5-7(11)9(13-8(6)12)14-1-3-15-4-2-14/h5H,1-4H2,(H2,12,13)
InChIKeyKOQGSLWOFVBCNO-UHFFFAOYSA-N
XLogP2.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine (CID 102755362) is 3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine is Nc1nc(N2CCSCC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine?
The InChIKey is KOQGSLWOFVBCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3S/c10-6-5-7(11)9(13-8(6)12)14-1-3-15-4-2-14/h5H,1-4H2,(H2,12,13).
What are the key properties of 3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine?
3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine has a molecular weight of 264.18 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-thiomorpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 102755362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).