N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine

C14H23N3O2S — CID 115922139

IUPACN-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCCS(=O)(=O)CC(C)Nc1cccnc1N1CCCC1
InChIInChI=1S/C14H23N3O2S/c1-3-20(18,19)11-12(2)16-13-7-6-8-15-14(13)17-9-4-5-10-17/h6-8,12,16H,3-5,9-11H2,1-2H3
InChIKeyFCANOTYJPWZJSF-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.92
Rot. Bonds6

About N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine

N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 115922139) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine
PubChem CID115922139
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCCS(=O)(=O)CC(C)Nc1cccnc1N1CCCC1
InChIInChI=1S/C14H23N3O2S/c1-3-20(18,19)11-12(2)16-13-7-6-8-15-14(13)17-9-4-5-10-17/h6-8,12,16H,3-5,9-11H2,1-2H3
InChIKeyFCANOTYJPWZJSF-UHFFFAOYSA-N
XLogP1.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676446
N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine
CID 115922122
N-(1-cyclobutylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 115922136
2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol
CID 65338174
N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine
CID 64629336
N-pentyl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676361
N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43779579
N-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
CID 59222286
N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 54881297
2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 43700405
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine (CID 115922139) is N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine is CCS(=O)(=O)CC(C)Nc1cccnc1N1CCCC1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is FCANOTYJPWZJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-20(18,19)11-12(2)16-13-7-6-8-15-14(13)17-9-4-5-10-17/h6-8,12,16H,3-5,9-11H2,1-2H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine?
N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 297.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 115922139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).