N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide

C14H23N3O2S — CID 106062682

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCCN(C)C2CC2)c1
InChIInChI=1S/C14H23N3O2S/c1-15-11-12-4-3-5-14(10-12)20(18,19)16-8-9-17(2)13-6-7-13/h3-5,10,13,15-16H,6-9,11H2,1-2H3
InChIKeyTXUFNUWPLGKKNT-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.78
Rot. Bonds8

About N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106062682) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106062682
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCCN(C)C2CC2)c1
InChIInChI=1S/C14H23N3O2S/c1-15-11-12-4-3-5-14(10-12)20(18,19)16-8-9-17(2)13-6-7-13/h3-5,10,13,15-16H,6-9,11H2,1-2H3
InChIKeyTXUFNUWPLGKKNT-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 114138869
N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106094104
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106056406
N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106094503
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 62978743
3-(methylaminomethyl)-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106077992
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 62977562
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide
CID 62980477
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
3-(methylaminomethyl)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 106072115

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide (CID 106062682) is N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)NCCN(C)C2CC2)c1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is TXUFNUWPLGKKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-15-11-12-4-3-5-14(10-12)20(18,19)16-8-9-17(2)13-6-7-13/h3-5,10,13,15-16H,6-9,11H2,1-2H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 0.78, 8 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]-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106062682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).