4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide

C12H18N2O2S — CID 113485231

IUPAC4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC1(C)CC1
InChIInChI=1S/C12H18N2O2S/c1-8-6-10(13)7-9(2)11(8)17(15,16)14-12(3)4-5-12/h6-7,14H,4-5,13H2,1-3H3
InChIKeyDJGQYTKHLOHQFS-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.72
Rot. Bonds3

About 4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide

4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide (PubChem CID 113485231) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
PubChem CID113485231
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC1(C)CC1
InChIInChI=1S/C12H18N2O2S/c1-8-6-10(13)7-9(2)11(8)17(15,16)14-12(3)4-5-12/h6-7,14H,4-5,13H2,1-3H3
InChIKeyDJGQYTKHLOHQFS-UHFFFAOYSA-N
XLogP1.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 107327467
4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide
CID 79589176
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 114628526
3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 114380220
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 106997142
2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485252
4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83012679
4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 79588779
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 107329156
4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79557755

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide (CID 113485231) is 4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)NC1(C)CC1.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The InChIKey is DJGQYTKHLOHQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-6-10(13)7-9(2)11(8)17(15,16)14-12(3)4-5-12/h6-7,14H,4-5,13H2,1-3H3.
What are the key properties of 4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide?
4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 113485231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).