6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine

C11H16N2O3S2 — CID 54981712

IUPAC6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NC2CCS(=O)CC2)cn1
InChIInChI=1S/C11H16N2O3S2/c1-18(15,16)11-3-2-10(8-12-11)13-9-4-6-17(14)7-5-9/h2-3,8-9,13H,4-7H2,1H3
InChIKeyLLURVRLIANTBHA-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.81
Rot. Bonds3

About 6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine

6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine (PubChem CID 54981712) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine
PubChem CID54981712
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NC2CCS(=O)CC2)cn1
InChIInChI=1S/C11H16N2O3S2/c1-18(15,16)11-3-2-10(8-12-11)13-9-4-6-17(14)7-5-9/h2-3,8-9,13H,4-7H2,1H3
InChIKeyLLURVRLIANTBHA-UHFFFAOYSA-N
XLogP0.81
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine?
The IUPAC name of 6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine (CID 54981712) is 6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine.
What is the SMILES notation for 6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine?
The canonical SMILES for 6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine is CS(=O)(=O)c1ccc(NC2CCS(=O)CC2)cn1.
What is the InChIKey of 6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine?
The InChIKey is LLURVRLIANTBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-18(15,16)11-3-2-10(8-12-11)13-9-4-6-17(14)7-5-9/h2-3,8-9,13H,4-7H2,1H3.
What are the key properties of 6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine?
6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine has a molecular weight of 288.39 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-(1-oxothian-4-yl)pyridin-3-amine is sourced from PubChem (CID 54981712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).