2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine

C15H25N3O2S — CID 103306947

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine
SMILESCCCNc1cccnc1S(=O)(=O)N1C(C)CCC1CC
InChIInChI=1S/C15H25N3O2S/c1-4-10-16-14-7-6-11-17-15(14)21(19,20)18-12(3)8-9-13(18)5-2/h6-7,11-13,16H,4-5,8-10H2,1-3H3
InChIKeyQMUUGCXFLRCLEU-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.86
Rot. Bonds6

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine

2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine (PubChem CID 103306947) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine
PubChem CID103306947
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine
SMILESCCCNc1cccnc1S(=O)(=O)N1C(C)CCC1CC
InChIInChI=1S/C15H25N3O2S/c1-4-10-16-14-7-6-11-17-15(14)21(19,20)18-12(3)8-9-13(18)5-2/h6-7,11-13,16H,4-5,8-10H2,1-3H3
InChIKeyQMUUGCXFLRCLEU-UHFFFAOYSA-N
XLogP2.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine (CID 103306947) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine is CCCNc1cccnc1S(=O)(=O)N1C(C)CCC1CC.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine?
The InChIKey is QMUUGCXFLRCLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-10-16-14-7-6-11-17-15(14)21(19,20)18-12(3)8-9-13(18)5-2/h6-7,11-13,16H,4-5,8-10H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine?
2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine has a molecular weight of 311.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine is sourced from PubChem (CID 103306947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).