2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide

C14H23N3O2S — CID 107116258

IUPAC2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(CC1CCC1)c1cccc(S(=O)(=O)N(C)C)c1N
InChIInChI=1S/C14H23N3O2S/c1-16(2)20(18,19)13-9-5-8-12(14(13)15)17(3)10-11-6-4-7-11/h5,8-9,11H,4,6-7,10,15H2,1-3H3
InChIKeyZODLLZSDGFFYKJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.76
Rot. Bonds5

About 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide

2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 107116258) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID107116258
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(CC1CCC1)c1cccc(S(=O)(=O)N(C)C)c1N
InChIInChI=1S/C14H23N3O2S/c1-16(2)20(18,19)13-9-5-8-12(14(13)15)17(3)10-11-6-4-7-11/h5,8-9,11H,4,6-7,10,15H2,1-3H3
InChIKeyZODLLZSDGFFYKJ-UHFFFAOYSA-N
XLogP1.76
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116376
2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107115768
2-amino-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 107115787
2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide
CID 107116637
2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide
CID 107116318
5-amino-2-[cyclopentylmethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103287062
3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide
CID 61444804
3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine
CID 104540064
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80918855
2-[cyclobutylmethyl(methyl)amino]-6-fluorobenzenecarbothioamide
CID 79519658
N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline
CID 66962258
4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide
CID 82900867

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide (CID 107116258) is 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide is CN(CC1CCC1)c1cccc(S(=O)(=O)N(C)C)c1N.
What is the InChIKey of 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZODLLZSDGFFYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-16(2)20(18,19)13-9-5-8-12(14(13)15)17(3)10-11-6-4-7-11/h5,8-9,11H,4,6-7,10,15H2,1-3H3.
What are the key properties of 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide?
2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 107116258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).