2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine

C11H24N2O2S — CID 114802608

IUPAC2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine
SMILESCCS(=O)(=O)CCCN1CCC(CCN)C1
InChIInChI=1S/C11H24N2O2S/c1-2-16(14,15)9-3-7-13-8-5-11(10-13)4-6-12/h11H,2-10,12H2,1H3
InChIKeyCCAFTWSLIKXSTI-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.48
Rot. Bonds7

About 2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine

2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine (PubChem CID 114802608) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine
PubChem CID114802608
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine
SMILESCCS(=O)(=O)CCCN1CCC(CCN)C1
InChIInChI=1S/C11H24N2O2S/c1-2-16(14,15)9-3-7-13-8-5-11(10-13)4-6-12/h11H,2-10,12H2,1H3
InChIKeyCCAFTWSLIKXSTI-UHFFFAOYSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
CID 114802527
2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine
CID 114802487
1-butyl-3-propylpyrrolidine;methanesulfonic acid
CID 175583831
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
methanesulfonic acid;3-propyl-1-undecylpyrrolidine
CID 175583715
N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine
CID 83963240
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine
CID 114802641
1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one
CID 114500199
3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine
CID 114507903

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine (CID 114802608) is 2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine is CCS(=O)(=O)CCCN1CCC(CCN)C1.
What is the InChIKey of 2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is CCAFTWSLIKXSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-2-16(14,15)9-3-7-13-8-5-11(10-13)4-6-12/h11H,2-10,12H2,1H3.
What are the key properties of 2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine?
2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 248.39 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 114802608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).