[1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol

C15H23NO4S — CID 61408929

IUPAC[1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol
SMILESCC(C)COc1ccc(S(=O)(=O)N2CCCC2CO)cc1
InChIInChI=1S/C15H23NO4S/c1-12(2)11-20-14-5-7-15(8-6-14)21(18,19)16-9-3-4-13(16)10-17/h5-8,12-13,17H,3-4,9-11H2,1-2H3
InChIKeyLBOXXFDRNVEQMR-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.87
Rot. Bonds6

About [1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol

[1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol (PubChem CID 61408929) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is [1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol
PubChem CID61408929
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name[1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol
SMILESCC(C)COc1ccc(S(=O)(=O)N2CCCC2CO)cc1
InChIInChI=1S/C15H23NO4S/c1-12(2)11-20-14-5-7-15(8-6-14)21(18,19)16-9-3-4-13(16)10-17/h5-8,12-13,17H,3-4,9-11H2,1-2H3
InChIKeyLBOXXFDRNVEQMR-UHFFFAOYSA-N
XLogP1.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79028252
2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid
CID 61408834
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide
CID 61409237
N-methyl-1-[1-[4-(3-methylbutoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991195
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine
CID 120714670
[(2S)-1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 107858899
[(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79027858
1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine
CID 43362237
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol (CID 61408929) is [1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol is CC(C)COc1ccc(S(=O)(=O)N2CCCC2CO)cc1.
What is the InChIKey of [1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is LBOXXFDRNVEQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-12(2)11-20-14-5-7-15(8-6-14)21(18,19)16-9-3-4-13(16)10-17/h5-8,12-13,17H,3-4,9-11H2,1-2H3.
What are the key properties of [1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol?
[1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 313.42 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 61408929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).