1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine

C14H23N3O2S — CID 81460569

IUPAC1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
SMILESCc1ccc(N)cc1S(=O)(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H23N3O2S/c1-10-5-6-12(15)7-14(10)20(18,19)17-8-11(2)13(9-17)16(3)4/h5-7,11,13H,8-9,15H2,1-4H3
InChIKeyYMOCJRMWVQAPSZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.15
Rot. Bonds3

About 1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine

1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81460569) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81460569
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
SMILESCc1ccc(N)cc1S(=O)(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H23N3O2S/c1-10-5-6-12(15)7-14(10)20(18,19)17-8-11(2)13(9-17)16(3)4/h5-7,11,13H,8-9,15H2,1-4H3
InChIKeyYMOCJRMWVQAPSZ-UHFFFAOYSA-N
XLogP1.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzenesulfonamide, 5-amino-N-ethyl-2-methyl-N-phenyl-
CID 96649
5-amino-N,2-dimethylbenzene-1-sulfonamide
CID 235521
5-Amino-2,N,N-trimethyl-benzenesulfonamide
CID 235529
5-Amino-2-methylbenzenesulfonamide
CID 235511
N-[(3R)-1-cyanopyrrolidin-3-yl]-5-[(3-fluorophenyl)methylamino]-2-methylbenzenesulfonamide
CID 44463116
5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide
CID 3400251
5-amino-N,N-diethyl-2-methylbenzene-1-sulfonamide
CID 3643281
3-(Azepane-1-sulfonyl)-4-methylaniline
CID 3726934
3-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide
CID 4173422
6-Amino-2,3-dihydro-1lambda6,2-benzothiazole-1,1-dione
CID 25067843
5-Amino-2-ethylbenzene-1-sulfonamide
CID 43255786
4-Methyl-3-(piperidine-1-sulfonyl)-phenylamine
CID 2947433

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine (CID 81460569) is 1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine is Cc1ccc(N)cc1S(=O)(=O)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is YMOCJRMWVQAPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-5-6-12(15)7-14(10)20(18,19)17-8-11(2)13(9-17)16(3)4/h5-7,11,13H,8-9,15H2,1-4H3.
What are the key properties of 1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine?
1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 297.42 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81460569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).