2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide

C13H20N2O3S — CID 141118156

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide
SMILESO=S(=O)(CCN1CCCC1CO)Nc1ccccc1
InChIInChI=1S/C13H20N2O3S/c16-11-13-7-4-8-15(13)9-10-19(17,18)14-12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-11H2
InChIKeyGZBVAUOTMMABOG-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.88
Rot. Bonds6

About 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide (PubChem CID 141118156) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide
PubChem CID141118156
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide
SMILESO=S(=O)(CCN1CCCC1CO)Nc1ccccc1
InChIInChI=1S/C13H20N2O3S/c16-11-13-7-4-8-15(13)9-10-19(17,18)14-12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-11H2
InChIKeyGZBVAUOTMMABOG-UHFFFAOYSA-N
XLogP0.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanesulfonamide
CID 66701783
tert-butyl N-[4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonylamino]phenyl]carbamate
CID 58812913
1-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-phenylurea
CID 97016233
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid
CID 142779495
2-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 72694161
4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 14615613
[(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol
CID 62046870
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
[(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol
CID 103857735
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 66261613
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide (CID 141118156) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide is O=S(=O)(CCN1CCCC1CO)Nc1ccccc1.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide?
The InChIKey is GZBVAUOTMMABOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-11-13-7-4-8-15(13)9-10-19(17,18)14-12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-11H2.
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide is sourced from PubChem (CID 141118156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).