3-methylsulfonyl-N-propan-2-ylpyridin-2-amine

C9H14N2O2S — CID 114598585

IUPAC3-methylsulfonyl-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-7(2)11-9-8(14(3,12)13)5-4-6-10-9/h4-7H,1-3H3,(H,10,11)
InChIKeyMCCMLOHBTWOLNK-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.31
Rot. Bonds3

About 3-methylsulfonyl-N-propan-2-ylpyridin-2-amine

3-methylsulfonyl-N-propan-2-ylpyridin-2-amine (PubChem CID 114598585) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-methylsulfonyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-propan-2-ylpyridin-2-amine
PubChem CID114598585
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-methylsulfonyl-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-7(2)11-9-8(14(3,12)13)5-4-6-10-9/h4-7H,1-3H3,(H,10,11)
InChIKeyMCCMLOHBTWOLNK-UHFFFAOYSA-N
XLogP1.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 3-methylsulfonyl-N-propan-2-ylpyridin-2-amine (CID 114598585) is 3-methylsulfonyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-methylsulfonyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3-methylsulfonyl-N-propan-2-ylpyridin-2-amine is CC(C)Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of 3-methylsulfonyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is MCCMLOHBTWOLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7(2)11-9-8(14(3,12)13)5-4-6-10-9/h4-7H,1-3H3,(H,10,11).
What are the key properties of 3-methylsulfonyl-N-propan-2-ylpyridin-2-amine?
3-methylsulfonyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 214.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 114598585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).