3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine

C14H23N3O2S — CID 63767385

IUPAC3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine
SMILESNCCCC1CCCN1S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C14H23N3O2S/c15-9-3-6-14-7-4-11-17(14)20(18,19)12-8-13-5-1-2-10-16-13/h1-2,5,10,14H,3-4,6-9,11-12,15H2
InChIKeyDJTKVIVYCCMJJR-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.16
Rot. Bonds7

About 3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine

3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine (PubChem CID 63767385) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine
PubChem CID63767385
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine
SMILESNCCCC1CCCN1S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C14H23N3O2S/c15-9-3-6-14-7-4-11-17(14)20(18,19)12-8-13-5-1-2-10-16-13/h1-2,5,10,14H,3-4,6-9,11-12,15H2
InChIKeyDJTKVIVYCCMJJR-UHFFFAOYSA-N
XLogP1.16
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-amine
CID 63763018
1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine
CID 63255259
methyl 1-(2-pyridin-2-ylethylsulfonyl)pyrrolidine-2-carboxylate
CID 60865617
3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine
CID 63765660
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469370
2-[2-[3-(chloromethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63397714
[4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine
CID 114960930
2-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylic acid
CID 106742336
2-[2-[3-(2-chloroethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63400545
3-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]propan-1-amine
CID 113444053
N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide
CID 63631308

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine (CID 63767385) is 3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine is NCCCC1CCCN1S(=O)(=O)CCc1ccccn1.
What is the InChIKey of 3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine?
The InChIKey is DJTKVIVYCCMJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c15-9-3-6-14-7-4-11-17(14)20(18,19)12-8-13-5-1-2-10-16-13/h1-2,5,10,14H,3-4,6-9,11-12,15H2.
What are the key properties of 3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine?
3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine has a molecular weight of 297.42 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 63767385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).