4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine

C9H12N2O2S — CID 70323652

IUPAC4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine
SMILESCC(C)=CS(=O)(=O)c1ccncc1N
InChIInChI=1S/C9H12N2O2S/c1-7(2)6-14(12,13)9-3-4-11-5-8(9)10/h3-6H,10H2,1-2H3
InChIKeyXATCXZMIUHTOFT-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.36
Rot. Bonds2

About 4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine

4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine (PubChem CID 70323652) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine
PubChem CID70323652
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine
SMILESCC(C)=CS(=O)(=O)c1ccncc1N
InChIInChI=1S/C9H12N2O2S/c1-7(2)6-14(12,13)9-3-4-11-5-8(9)10/h3-6H,10H2,1-2H3
InChIKeyXATCXZMIUHTOFT-UHFFFAOYSA-N
XLogP1.36
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine?
The IUPAC name of 4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine (CID 70323652) is 4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine?
The canonical SMILES for 4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine is CC(C)=CS(=O)(=O)c1ccncc1N.
What is the InChIKey of 4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine?
The InChIKey is XATCXZMIUHTOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-7(2)6-14(12,13)9-3-4-11-5-8(9)10/h3-6H,10H2,1-2H3.
What are the key properties of 4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine?
4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine has a molecular weight of 212.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine is sourced from PubChem (CID 70323652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).