1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C12H17N3O3S — CID 43096916

IUPAC1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1c(N)cccc1S(=O)(=O)N1CCCC1C(N)=O
InChIInChI=1S/C12H17N3O3S/c1-8-9(13)4-2-6-11(8)19(17,18)15-7-3-5-10(15)12(14)16/h2,4,6,10H,3,5,7,13H2,1H3,(H2,14,16)
InChIKeyCMRAWGFMUMCRNU-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.22
Rot. Bonds3

About 1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide

1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 43096916) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID43096916
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1c(N)cccc1S(=O)(=O)N1CCCC1C(N)=O
InChIInChI=1S/C12H17N3O3S/c1-8-9(13)4-2-6-11(8)19(17,18)15-7-3-5-10(15)12(14)16/h2,4,6,10H,3,5,7,13H2,1H3,(H2,14,16)
InChIKeyCMRAWGFMUMCRNU-UHFFFAOYSA-N
XLogP0.22
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.22
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

1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43258628
3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469145
(2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069629
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60519923
ethyl (2S)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylate
CID 11522251
2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43110377
(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2392292
1-(3-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361313
1-[4-(aminomethyl)-2-methylphenyl]sulfonylpyrrolidine-2-carboxamide
CID 106996648
4-(2-carbamoylpyrrolidin-1-yl)sulfonyl-5-methylthiophene-2-carboxylic acid
CID 63328505
1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54980224
1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 60660626

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 43096916) is 1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1c(N)cccc1S(=O)(=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is CMRAWGFMUMCRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-9(13)4-2-6-11(8)19(17,18)15-7-3-5-10(15)12(14)16/h2,4,6,10H,3,5,7,13H2,1H3,(H2,14,16).
What are the key properties of 1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43096916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).