N-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine

C11H16N2O2S — CID 134129116

IUPACN-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine
SMILESCc1ncccc1N[C@H]1CCCS(=O)(=O)C1
InChIInChI=1S/C11H16N2O2S/c1-9-11(5-2-6-12-9)13-10-4-3-7-16(14,15)8-10/h2,5-6,10,13H,3-4,7-8H2,1H3/t10-/m0/s1
InChIKeyUTGFIRRMSACIPX-JTQLQIEISA-N
MW240.33 g/mol
LogP1.38
Rot. Bonds2

About N-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine

N-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine (PubChem CID 134129116) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine
PubChem CID134129116
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine
SMILESCc1ncccc1N[C@H]1CCCS(=O)(=O)C1
InChIInChI=1S/C11H16N2O2S/c1-9-11(5-2-6-12-9)13-10-4-3-7-16(14,15)8-10/h2,5-6,10,13H,3-4,7-8H2,1H3/t10-/m0/s1
InChIKeyUTGFIRRMSACIPX-JTQLQIEISA-N
XLogP1.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine?
The IUPAC name of N-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine (CID 134129116) is N-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine.
What is the SMILES notation for N-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine?
The canonical SMILES for N-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine is Cc1ncccc1N[C@H]1CCCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine?
The InChIKey is UTGFIRRMSACIPX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9-11(5-2-6-12-9)13-10-4-3-7-16(14,15)8-10/h2,5-6,10,13H,3-4,7-8H2,1H3/t10-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine?
N-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine has a molecular weight of 240.33 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothian-3-yl]-2-methylpyridin-3-amine is sourced from PubChem (CID 134129116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).