[(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol

C15H23NO4S — CID 79027858

IUPAC[(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1cc(S(=O)(=O)N2CCC[C@@H]2CO)ccc1OC(C)C
InChIInChI=1S/C15H23NO4S/c1-11(2)20-15-7-6-14(9-12(15)3)21(18,19)16-8-4-5-13(16)10-17/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3/t13-/m1/s1
InChIKeyHARCHSWXTWELCD-CYBMUJFWSA-N
MW313.42 g/mol
LogP1.93
Rot. Bonds5

About [(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol

[(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 79027858) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is [(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID79027858
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name[(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1cc(S(=O)(=O)N2CCC[C@@H]2CO)ccc1OC(C)C
InChIInChI=1S/C15H23NO4S/c1-11(2)20-15-7-6-14(9-12(15)3)21(18,19)16-8-4-5-13(16)10-17/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3/t13-/m1/s1
InChIKeyHARCHSWXTWELCD-CYBMUJFWSA-N
XLogP1.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol
CID 116636629
[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409204
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409059
[2-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methanol
CID 75443732
5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-2-methoxybenzoic acid
CID 107215310
[1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 61408929
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
[1-(3-fluoro-4-methoxyphenyl)sulfonylazepan-2-yl]methanol
CID 116636614
2-(benzenesulfonylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidine
CID 90585734
N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119960899
[(2S)-1-(3,4-dimethyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260606
[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-2-methylphenyl] 2-[4-[butyl(methyl)amino]phenyl]butanoate
CID 67599241

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 79027858) is [(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol is Cc1cc(S(=O)(=O)N2CCC[C@@H]2CO)ccc1OC(C)C.
What is the InChIKey of [(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is HARCHSWXTWELCD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11(2)20-15-7-6-14(9-12(15)3)21(18,19)16-8-4-5-13(16)10-17/h6-7,9,11,13,17H,4-5,8,10H2,1-3H3/t13-/m1/s1.
What are the key properties of [(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 313.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 79027858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).