[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol

C10H21NO3S — CID 63856789

IUPAC[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCC(C)CCS(=O)(=O)N1CCCC1CO
InChIInChI=1S/C10H21NO3S/c1-9(2)5-7-15(13,14)11-6-3-4-10(11)8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyVZJVYFHDDUWFSD-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.82
Rot. Bonds5

About [1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol

[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 63856789) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is [1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID63856789
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCC(C)CCS(=O)(=O)N1CCCC1CO
InChIInChI=1S/C10H21NO3S/c1-9(2)5-7-15(13,14)11-6-3-4-10(11)8-12/h9-10,12H,3-8H2,1-2H3
InChIKeyVZJVYFHDDUWFSD-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol
CID 79594903
(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354
[(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol
CID 111439868
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409661
1-(3-methylbutylsulfonyl)azepan-2-amine
CID 64560531
2-isocyanato-1-(3-methylbutylsulfonyl)pyrrolidine
CID 63856414
[1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol
CID 63856417
methyl (2R)-1-(3-methylbutylsulfonyl)piperidine-2-carboxylate
CID 79830883
1-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 107215353

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol (CID 63856789) is [1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol is CC(C)CCS(=O)(=O)N1CCCC1CO.
What is the InChIKey of [1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is VZJVYFHDDUWFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2)5-7-15(13,14)11-6-3-4-10(11)8-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of [1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol?
[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 235.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 63856789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).