1-(2-aminoethylsulfonyl)pyrrolidin-3-ol

C6H14N2O3S — CID 62941538

IUPAC1-(2-aminoethylsulfonyl)pyrrolidin-3-ol
SMILESNCCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C6H14N2O3S/c7-2-4-12(10,11)8-3-1-6(9)5-8/h6,9H,1-5,7H2
InChIKeyLXCFXYYBKPFXTB-UHFFFAOYSA-N
MW194.26 g/mol
LogP-1.66
Rot. Bonds3

About 1-(2-aminoethylsulfonyl)pyrrolidin-3-ol

1-(2-aminoethylsulfonyl)pyrrolidin-3-ol (PubChem CID 62941538) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-(2-aminoethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-aminoethylsulfonyl)pyrrolidin-3-ol
PubChem CID62941538
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name1-(2-aminoethylsulfonyl)pyrrolidin-3-ol
SMILESNCCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C6H14N2O3S/c7-2-4-12(10,11)8-3-1-6(9)5-8/h6,9H,1-5,7H2
InChIKeyLXCFXYYBKPFXTB-UHFFFAOYSA-N
XLogP-1.66
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethylsulfonyl)piperidin-4-ol
CID 16781197
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol
CID 66291110
1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol
CID 82843149
2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine
CID 64569912
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine
CID 115559716
ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate
CID 62917298
2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
CID 107227327
(3R)-1-[2-(2-aminophenoxy)ethylsulfonyl]pyrrolidin-3-ol
CID 107212043

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-aminoethylsulfonyl)pyrrolidin-3-ol (CID 62941538) is 1-(2-aminoethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-aminoethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-aminoethylsulfonyl)pyrrolidin-3-ol is NCCS(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-(2-aminoethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is LXCFXYYBKPFXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c7-2-4-12(10,11)8-3-1-6(9)5-8/h6,9H,1-5,7H2.
What are the key properties of 1-(2-aminoethylsulfonyl)pyrrolidin-3-ol?
1-(2-aminoethylsulfonyl)pyrrolidin-3-ol has a molecular weight of 194.26 g/mol, XLogP of -1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 62941538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).