[(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol

C11H23NO3S — CID 111439868

IUPAC[(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCCCC(C)CS(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C11H23NO3S/c1-3-5-10(2)9-16(14,15)12-7-4-6-11(12)8-13/h10-11,13H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyVJTBKMUEXQBETH-RRKGBCIJSA-N
MW249.38 g/mol
LogP1.21
Rot. Bonds6

About [(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol

[(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 111439868) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is [(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID111439868
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name[(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCCCC(C)CS(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C11H23NO3S/c1-3-5-10(2)9-16(14,15)12-7-4-6-11(12)8-13/h10-11,13H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyVJTBKMUEXQBETH-RRKGBCIJSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
CID 63856789
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol
CID 79594903
1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine
CID 79585022
N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 115754042
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056
2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide
CID 95626033
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 107215353
2,3-dimethyl-1-(2-methylpentylsulfonyl)piperazine;hydrochloride
CID 120725770
[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409661
(2S,3S)-2-methyl-1-(2-methylbutylsulfonyl)piperidine-3-carboxylic acid
CID 122105024

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol (CID 111439868) is [(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol is CCCC(C)CS(=O)(=O)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is VJTBKMUEXQBETH-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-5-10(2)9-16(14,15)12-7-4-6-11(12)8-13/h10-11,13H,3-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of [(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol?
[(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 249.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 111439868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).