2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C13H21N3O2S — CID 55097806

IUPAC2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCCN1CCCC1
InChIInChI=1S/C13H21N3O2S/c1-11-5-4-6-12(14)13(11)19(17,18)15-7-10-16-8-2-3-9-16/h4-6,15H,2-3,7-10,14H2,1H3
InChIKeyNLLCECAHSLZBJX-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.95
Rot. Bonds5

About 2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 55097806) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID55097806
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCCN1CCCC1
InChIInChI=1S/C13H21N3O2S/c1-11-5-4-6-12(14)13(11)19(17,18)15-7-10-16-8-2-3-9-16/h4-6,15H,2-3,7-10,14H2,1H3
InChIKeyNLLCECAHSLZBJX-UHFFFAOYSA-N
XLogP0.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.95
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

2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
3-amino-2,5,6-trimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 106504797
2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide
CID 106006663
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylbenzenesulfonamide
CID 61242109
2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106324656
2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
CID 107843459
3-amino-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 115993592
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide
CID 63825126
2-N-[2-(azepan-1-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 113333701
3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 61125157

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 55097806) is 2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NCCN1CCCC1.
What is the InChIKey of 2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is NLLCECAHSLZBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11-5-4-6-12(14)13(11)19(17,18)15-7-10-16-8-2-3-9-16/h4-6,15H,2-3,7-10,14H2,1H3.
What are the key properties of 2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 55097806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).