2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide

C14H23N3O2S — CID 114632717

IUPAC2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NC1CC(N)C1(C)C
InChIInChI=1S/C14H23N3O2S/c1-4-16-20(18,19)11-8-6-5-7-10(11)17-13-9-12(15)14(13,2)3/h5-8,12-13,16-17H,4,9,15H2,1-3H3
InChIKeyVPUJFDCNWBHHKS-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.52
Rot. Bonds5

About 2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide

2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide (PubChem CID 114632717) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide
PubChem CID114632717
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NC1CC(N)C1(C)C
InChIInChI=1S/C14H23N3O2S/c1-4-16-20(18,19)11-8-6-5-7-10(11)17-13-9-12(15)14(13,2)3/h5-8,12-13,16-17H,4,9,15H2,1-3H3
InChIKeyVPUJFDCNWBHHKS-UHFFFAOYSA-N
XLogP1.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide
CID 62313487
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 43454387
N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide
CID 66007000
2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide
CID 43615439
2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol
CID 114630104
2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide
CID 63760577
N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 114695395
2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid
CID 64815678
1-amino-N-[2-(ethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60853345
(2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide
CID 107568567
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide (CID 114632717) is 2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1NC1CC(N)C1(C)C.
What is the InChIKey of 2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide?
The InChIKey is VPUJFDCNWBHHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-16-20(18,19)11-8-6-5-7-10(11)17-13-9-12(15)14(13,2)3/h5-8,12-13,16-17H,4,9,15H2,1-3H3.
What are the key properties of 2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide?
2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylcyclobutyl)amino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 114632717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).