5-butylsulfonylpyridin-2-amine

C9H14N2O2S — CID 90010131

IUPAC5-butylsulfonylpyridin-2-amine
SMILESCCCCS(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C9H14N2O2S/c1-2-3-6-14(12,13)8-4-5-9(10)11-7-8/h4-5,7H,2-3,6H2,1H3,(H2,10,11)
InChIKeyQNIGCLSNQMSCNP-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.24
Rot. Bonds4

About 5-butylsulfonylpyridin-2-amine

5-butylsulfonylpyridin-2-amine (PubChem CID 90010131) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-butylsulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-butylsulfonylpyridin-2-amine
PubChem CID90010131
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name5-butylsulfonylpyridin-2-amine
SMILESCCCCS(=O)(=O)c1ccc(N)nc1
InChIInChI=1S/C9H14N2O2S/c1-2-3-6-14(12,13)8-4-5-9(10)11-7-8/h4-5,7H,2-3,6H2,1H3,(H2,10,11)
InChIKeyQNIGCLSNQMSCNP-UHFFFAOYSA-N
XLogP1.24
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-butylsulfonylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butylsulfonylpyridin-2-amine?
The IUPAC name of 5-butylsulfonylpyridin-2-amine (CID 90010131) is 5-butylsulfonylpyridin-2-amine.
What is the SMILES notation for 5-butylsulfonylpyridin-2-amine?
The canonical SMILES for 5-butylsulfonylpyridin-2-amine is CCCCS(=O)(=O)c1ccc(N)nc1.
What is the InChIKey of 5-butylsulfonylpyridin-2-amine?
The InChIKey is QNIGCLSNQMSCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-3-6-14(12,13)8-4-5-9(10)11-7-8/h4-5,7H,2-3,6H2,1H3,(H2,10,11).
What are the key properties of 5-butylsulfonylpyridin-2-amine?
5-butylsulfonylpyridin-2-amine has a molecular weight of 214.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylsulfonylpyridin-2-amine is sourced from PubChem (CID 90010131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).