4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide

C12H19N3O2S — CID 62975510

IUPAC4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCN(CCNS(=O)(=O)c1ccc(N)cc1)C1CC1
InChIInChI=1S/C12H19N3O2S/c1-15(11-4-5-11)9-8-14-18(16,17)12-6-2-10(13)3-7-12/h2-3,6-7,11,14H,4-5,8-9,13H2,1H3
InChIKeyGQUZLNBKNHIDAY-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.64
Rot. Bonds6

About 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide

4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide (PubChem CID 62975510) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
PubChem CID62975510
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCN(CCNS(=O)(=O)c1ccc(N)cc1)C1CC1
InChIInChI=1S/C12H19N3O2S/c1-15(11-4-5-11)9-8-14-18(16,17)12-6-2-10(13)3-7-12/h2-3,6-7,11,14H,4-5,8-9,13H2,1H3
InChIKeyGQUZLNBKNHIDAY-UHFFFAOYSA-N
XLogP0.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.64
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

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 62977562
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62979062
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 62978743
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide
CID 62980477
4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 65480044
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide
CID 62976254
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-nitrobenzenesulfonamide
CID 62978388
3-amino-5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62977381
4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 63314929
4-amino-N-(2-bromoethyl)benzenesulfonamide
CID 125484136

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide (CID 62975510) is 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide is CN(CCNS(=O)(=O)c1ccc(N)cc1)C1CC1.
What is the InChIKey of 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide?
The InChIKey is GQUZLNBKNHIDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-15(11-4-5-11)9-8-14-18(16,17)12-6-2-10(13)3-7-12/h2-3,6-7,11,14H,4-5,8-9,13H2,1H3.
What are the key properties of 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide?
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 62975510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).