N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine

C14H23N3O2S — CID 103307176

IUPACN-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine
SMILESCCNc1cccnc1S(=O)(=O)N1CCC(C(C)C)C1
InChIInChI=1S/C14H23N3O2S/c1-4-15-13-6-5-8-16-14(13)20(18,19)17-9-7-12(10-17)11(2)3/h5-6,8,11-12,15H,4,7,9-10H2,1-3H3
InChIKeyARBOMEVHEGJFHG-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.18
Rot. Bonds5

About N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine

N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine (PubChem CID 103307176) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine
PubChem CID103307176
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine
SMILESCCNc1cccnc1S(=O)(=O)N1CCC(C(C)C)C1
InChIInChI=1S/C14H23N3O2S/c1-4-15-13-6-5-8-16-14(13)20(18,19)17-9-7-12(10-17)11(2)3/h5-6,8,11-12,15H,4,7,9-10H2,1-3H3
InChIKeyARBOMEVHEGJFHG-UHFFFAOYSA-N
XLogP2.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine
CID 103306417
2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103307057
4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 103306494
2-(4-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303589
N-ethyl-2-(2-methylpyrrolidin-1-yl)sulfonylpyridin-3-amine
CID 103302961
1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol
CID 106837532
2-(2,5-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-3-amine
CID 103306376
2-(3-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303754
3-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide
CID 106597808
1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol
CID 103305498
3-(ethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-sulfonamide
CID 103303867
N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine
CID 103298412

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine?
The IUPAC name of N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine (CID 103307176) is N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine.
What is the SMILES notation for N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine?
The canonical SMILES for N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine is CCNc1cccnc1S(=O)(=O)N1CCC(C(C)C)C1.
What is the InChIKey of N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine?
The InChIKey is ARBOMEVHEGJFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-15-13-6-5-8-16-14(13)20(18,19)17-9-7-12(10-17)11(2)3/h5-6,8,11-12,15H,4,7,9-10H2,1-3H3.
What are the key properties of N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine?
N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine has a molecular weight of 297.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine is sourced from PubChem (CID 103307176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).