1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol

C10H16N2O3S — CID 112627588

IUPAC1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2cc[nH]c2)C1
InChIInChI=1S/C10H16N2O3S/c1-8(13)9-3-5-12(7-9)16(14,15)10-2-4-11-6-10/h2,4,6,8-9,11,13H,3,5,7H2,1H3
InChIKeyZWDGAVTXNMOGRH-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.41
Rot. Bonds3

About 1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol

1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol (PubChem CID 112627588) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol
PubChem CID112627588
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2cc[nH]c2)C1
InChIInChI=1S/C10H16N2O3S/c1-8(13)9-3-5-12(7-9)16(14,15)10-2-4-11-6-10/h2,4,6,8-9,11,13H,3,5,7H2,1H3
InChIKeyZWDGAVTXNMOGRH-UHFFFAOYSA-N
XLogP0.41
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 112627112
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 112626701
1-[1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 112627675
1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115966431
3-(1H-pyrrol-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314182
1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 112627615
3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]prop-2-yn-1-ol
CID 115966566
1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115965542
1-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-one
CID 115965497
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103990794
(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
CID 104975048
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 103990791

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol (CID 112627588) is 1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(S(=O)(=O)c2cc[nH]c2)C1.
What is the InChIKey of 1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol?
The InChIKey is ZWDGAVTXNMOGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8(13)9-3-5-12(7-9)16(14,15)10-2-4-11-6-10/h2,4,6,8-9,11,13H,3,5,7H2,1H3.
What are the key properties of 1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol?
1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol has a molecular weight of 244.32 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).