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

C10H21NO3S — CID 66261999

IUPAC[(2R)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCC(C)CCS(=O)(=O)N1CCC[C@@H]1CO
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/t10-/m1/s1
InChIKeyVZJVYFHDDUWFSD-SNVBAGLBSA-N
MW235.35 g/mol
LogP0.82
Rot. Bonds5

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

[(2R)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 66261999) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is [(2R)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID66261999
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name[(2R)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCC(C)CCS(=O)(=O)N1CCC[C@@H]1CO
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/t10-/m1/s1
InChIKeyVZJVYFHDDUWFSD-SNVBAGLBSA-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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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol (CID 66261999) is [(2R)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol is CC(C)CCS(=O)(=O)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is VZJVYFHDDUWFSD-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of [(2R)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol?
[(2R)-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 [(2R)-1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 66261999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).