4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide

C12H18N2O3S — CID 81438418

IUPAC4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CC2(C)C)ccc1N
InChIInChI=1S/C12H18N2O3S/c1-12(2)7-11(12)14-18(15,16)8-4-5-9(13)10(6-8)17-3/h4-6,11,14H,7,13H2,1-3H3
InChIKeyZUJCYNIZIFKICD-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.35
Rot. Bonds4

About 4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide

4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide (PubChem CID 81438418) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide
PubChem CID81438418
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CC2(C)C)ccc1N
InChIInChI=1S/C12H18N2O3S/c1-12(2)7-11(12)14-18(15,16)8-4-5-9(13)10(6-8)17-3/h4-6,11,14H,7,13H2,1-3H3
InChIKeyZUJCYNIZIFKICD-UHFFFAOYSA-N
XLogP1.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 113288425
3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 79865271
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
5-amino-4-bromo-N-(2,2-dimethylcyclopropyl)-2-methoxybenzenesulfonamide
CID 81414164
4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438751
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246
4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide
CID 81440822
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxybenzenesulfonamide
CID 115454056
4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide
CID 81440565
3-amino-N-(2,2-dimethylcyclopropyl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791780

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide (CID 81438418) is 4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NC2CC2(C)C)ccc1N.
What is the InChIKey of 4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide?
The InChIKey is ZUJCYNIZIFKICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(2)7-11(12)14-18(15,16)8-4-5-9(13)10(6-8)17-3/h4-6,11,14H,7,13H2,1-3H3.
What are the key properties of 4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide?
4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81438418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).