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

C15H25N3O2S — CID 62980477

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-3-16-12-13-4-8-15(9-5-13)21(19,20)17-10-11-18(2)14-6-7-14/h4-5,8-9,14,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyWRDATVTWNAORTR-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.17
Rot. Bonds9

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

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide (PubChem CID 62980477) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide
PubChem CID62980477
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-3-16-12-13-4-8-15(9-5-13)21(19,20)17-10-11-18(2)14-6-7-14/h4-5,8-9,14,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyWRDATVTWNAORTR-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 65480044
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62979062
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 62977562
N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62977559
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106062682
4-(ethylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63003905
N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106062810
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide (CID 62980477) is N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)NCCN(C)C2CC2)cc1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide?
The InChIKey is WRDATVTWNAORTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-16-12-13-4-8-15(9-5-13)21(19,20)17-10-11-18(2)14-6-7-14/h4-5,8-9,14,16-17H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 62980477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).