[1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol

C13H20N2O3S — CID 61410837

IUPAC[1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1ccc(N)c(S(=O)(=O)N2CCCC2CO)c1C
InChIInChI=1S/C13H20N2O3S/c1-9-5-6-12(14)13(10(9)2)19(17,18)15-7-3-4-11(15)8-16/h5-6,11,16H,3-4,7-8,14H2,1-2H3
InChIKeyRIBVPZFQYJKXEO-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.03
Rot. Bonds3

About [1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol

[1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 61410837) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID61410837
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1ccc(N)c(S(=O)(=O)N2CCCC2CO)c1C
InChIInChI=1S/C13H20N2O3S/c1-9-5-6-12(14)13(10(9)2)19(17,18)15-7-3-4-11(15)8-16/h5-6,11,16H,3-4,7-8,14H2,1-2H3
InChIKeyRIBVPZFQYJKXEO-UHFFFAOYSA-N
XLogP1.03
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.03
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

methyl 1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43473905
[(2S)-1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212326
[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107328232
[4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195724
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409059
2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline
CID 43257892
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-2,4-dimethylaniline
CID 65319389
5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
CID 54883049
[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol
CID 43574487
2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline
CID 104688760
[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409204
[(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212246

Frequently Asked Questions

What is the IUPAC name of [1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 61410837) is [1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol is Cc1ccc(N)c(S(=O)(=O)N2CCCC2CO)c1C.
What is the InChIKey of [1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is RIBVPZFQYJKXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-5-6-12(14)13(10(9)2)19(17,18)15-7-3-4-11(15)8-16/h5-6,11,16H,3-4,7-8,14H2,1-2H3.
What are the key properties of [1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol?
[1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 284.38 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 61410837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).