3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C14H23N3O2S — CID 79889833

IUPAC3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCCN2CCCC2)c1
InChIInChI=1S/C14H23N3O2S/c1-11-9-13(15)12(2)14(10-11)20(18,19)16-5-8-17-6-3-4-7-17/h9-10,16H,3-8,15H2,1-2H3
InChIKeyGNHINSIAOBWBLU-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.26
Rot. Bonds5

About 3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 79889833) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID79889833
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCCN2CCCC2)c1
InChIInChI=1S/C14H23N3O2S/c1-11-9-13(15)12(2)14(10-11)20(18,19)16-5-8-17-6-3-4-7-17/h9-10,16H,3-8,15H2,1-2H3
InChIKeyGNHINSIAOBWBLU-UHFFFAOYSA-N
XLogP1.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.26
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-amino-2,5,6-trimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 106504797
2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61106774
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylbenzenesulfonamide
CID 61242109
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106164705
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 79884493
5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide
CID 106049664
5-amino-4-bromo-2-methoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 81397573
3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 79889074
5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60661463
3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide
CID 79888817
2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55097806
3-amino-5-chloro-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 61107120

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 79889833) is 3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NCCN2CCCC2)c1.
What is the InChIKey of 3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is GNHINSIAOBWBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-9-13(15)12(2)14(10-11)20(18,19)16-5-8-17-6-3-4-7-17/h9-10,16H,3-8,15H2,1-2H3.
What are the key properties of 3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 79889833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).