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

C14H23N3O2S — CID 62977562

IUPAC3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1N
InChIInChI=1S/C14H23N3O2S/c1-3-11-4-7-13(10-14(11)15)20(18,19)16-8-9-17(2)12-5-6-12/h4,7,10,12,16H,3,5-6,8-9,15H2,1-2H3
InChIKeyIYSSBAWGPDCKCJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.20
Rot. Bonds7

About 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide

3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide (PubChem CID 62977562) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide
PubChem CID62977562
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1N
InChIInChI=1S/C14H23N3O2S/c1-3-11-4-7-13(10-14(11)15)20(18,19)16-8-9-17(2)12-5-6-12/h4,7,10,12,16H,3,5-6,8-9,15H2,1-2H3
InChIKeyIYSSBAWGPDCKCJ-UHFFFAOYSA-N
XLogP1.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.20
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

4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 62978743
3-amino-5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62977381
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
3-amino-4-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034450
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide
CID 62980477
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416445
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62979062
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106062682

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide (CID 62977562) is 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1N.
What is the InChIKey of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide?
The InChIKey is IYSSBAWGPDCKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-11-4-7-13(10-14(11)15)20(18,19)16-8-9-17(2)12-5-6-12/h4,7,10,12,16H,3,5-6,8-9,15H2,1-2H3.
What are the key properties of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide?
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 62977562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).