3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol

C14H22N2O3S — CID 62469145

IUPAC3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
SMILESCc1c(N)cccc1S(=O)(=O)N1CCCC1CCCO
InChIInChI=1S/C14H22N2O3S/c1-11-13(15)7-2-8-14(11)20(18,19)16-9-3-5-12(16)6-4-10-17/h2,7-8,12,17H,3-6,9-10,15H2,1H3
InChIKeyIZEYNSNXPAFMHU-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.50
Rot. Bonds5

About 3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol

3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol (PubChem CID 62469145) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
PubChem CID62469145
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
SMILESCc1c(N)cccc1S(=O)(=O)N1CCCC1CCCO
InChIInChI=1S/C14H22N2O3S/c1-11-13(15)7-2-8-14(11)20(18,19)16-9-3-5-12(16)6-4-10-17/h2,7-8,12,17H,3-6,9-10,15H2,1H3
InChIKeyIZEYNSNXPAFMHU-UHFFFAOYSA-N
XLogP1.50
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.50
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

3-[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62467903
1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43096916
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
3-[1-(3-amino-5-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469506
(3-amino-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 55076498
3-[1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469187
3-[1-(3-amino-5-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62467367
[1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409335
3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469324
3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol
CID 59367770
3-[1-(4-hydrazinylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62479579
3-[1-(4-amino-2,6-difluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469509

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol (CID 62469145) is 3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol is Cc1c(N)cccc1S(=O)(=O)N1CCCC1CCCO.
What is the InChIKey of 3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
The InChIKey is IZEYNSNXPAFMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-13(15)7-2-8-14(11)20(18,19)16-9-3-5-12(16)6-4-10-17/h2,7-8,12,17H,3-6,9-10,15H2,1H3.
What are the key properties of 3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol?
3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol has a molecular weight of 298.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).