(3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol

C11H16N2O3S — CID 107212018

IUPAC(3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1cccc(N)c1S(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H16N2O3S/c1-8-3-2-4-10(12)11(8)17(15,16)13-6-5-9(14)7-13/h2-4,9,14H,5-7,12H2,1H3/t9-/m1/s1
InChIKeyMZIMAGOHUARLSY-SECBINFHSA-N
MW256.33 g/mol
LogP0.33
Rot. Bonds2

About (3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol

(3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 107212018) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is (3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID107212018
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name(3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1cccc(N)c1S(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H16N2O3S/c1-8-3-2-4-10(12)11(8)17(15,16)13-6-5-9(14)7-13/h2-4,9,14H,5-7,12H2,1H3/t9-/m1/s1
InChIKeyMZIMAGOHUARLSY-SECBINFHSA-N
XLogP0.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895335
3-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79166006
1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63168134
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-3-methylaniline
CID 115558739
[1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43590106
2-(3,4-dimethylpiperazin-1-yl)sulfonyl-3-methylaniline
CID 63604384
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
2-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-3-methylaniline
CID 63971698
1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918017
1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651
1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
CID 43257227

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol (CID 107212018) is (3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol is Cc1cccc(N)c1S(=O)(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is MZIMAGOHUARLSY-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-3-2-4-10(12)11(8)17(15,16)13-6-5-9(14)7-13/h2-4,9,14H,5-7,12H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol?
(3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 256.33 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 107212018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).