5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide

C14H23N3O2S — CID 79905007

IUPAC5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide
SMILESCc1c(N2CCCC2C(C)C)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C14H23N3O2S/c1-9(2)12-5-4-6-17(12)13-7-11(15)8-14(10(13)3)20(16,18)19/h7-9,12H,4-6,15H2,1-3H3,(H2,16,18,19)
InChIKeyYNEIEECJHQVPKS-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.85
Rot. Bonds3

About 5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide

5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide (PubChem CID 79905007) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide
PubChem CID79905007
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide
SMILESCc1c(N2CCCC2C(C)C)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C14H23N3O2S/c1-9(2)12-5-4-6-17(12)13-7-11(15)8-14(10(13)3)20(16,18)19/h7-9,12H,4-6,15H2,1-3H3,(H2,16,18,19)
InChIKeyYNEIEECJHQVPKS-UHFFFAOYSA-N
XLogP1.85
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.85
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-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
CID 79896461
5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
CID 103505164
5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
CID 79897251
5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 79896990
5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide
CID 79900397
5-amino-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbenzenesulfonamide
CID 102955514
5-amino-3-(2-ethyl-3-oxopiperazin-1-yl)-2-methylbenzenesulfonamide
CID 79901277
4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide
CID 82902010
4-bromo-5-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)aniline
CID 116736061
2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide
CID 55167629
2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
CID 79888757
5-amino-3-[(1-ethylpyrrolidin-2-yl)methylamino]-2-methylbenzenesulfonamide
CID 79899490

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide (CID 79905007) is 5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide is Cc1c(N2CCCC2C(C)C)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is YNEIEECJHQVPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9(2)12-5-4-6-17(12)13-7-11(15)8-14(10(13)3)20(16,18)19/h7-9,12H,4-6,15H2,1-3H3,(H2,16,18,19).
What are the key properties of 5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide?
5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 79905007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).