3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine

C13H22N4O2S — CID 63174974

IUPAC3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cccnc2N)C1
InChIInChI=1S/C13H22N4O2S/c1-3-16(4-2)11-7-9-17(10-11)20(18,19)12-6-5-8-15-13(12)14/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H2,14,15)
InChIKeyRQSXGQCTBBDQBV-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.77
Rot. Bonds5

About 3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine

3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine (PubChem CID 63174974) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
PubChem CID63174974
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cccnc2N)C1
InChIInChI=1S/C13H22N4O2S/c1-3-16(4-2)11-7-9-17(10-11)20(18,19)12-6-5-8-15-13(12)14/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H2,14,15)
InChIKeyRQSXGQCTBBDQBV-UHFFFAOYSA-N
XLogP0.77
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine (CID 63174974) is 3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for 3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The canonical SMILES for 3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine is CCN(CC)C1CCN(S(=O)(=O)c2cccnc2N)C1.
What is the InChIKey of 3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The InChIKey is RQSXGQCTBBDQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-16(4-2)11-7-9-17(10-11)20(18,19)12-6-5-8-15-13(12)14/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H2,14,15).
What are the key properties of 3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine has a molecular weight of 298.41 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 63174974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).