3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide

C11H16N2O2S — CID 43256969

IUPAC3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NC1CC1
InChIInChI=1S/C11H16N2O2S/c1-7-3-6-10(12)8(2)11(7)16(14,15)13-9-4-5-9/h3,6,9,13H,4-5,12H2,1-2H3
InChIKeySAPGDQDJKIWRMU-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.33
Rot. Bonds3

About 3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide

3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide (PubChem CID 43256969) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide
PubChem CID43256969
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NC1CC1
InChIInChI=1S/C11H16N2O2S/c1-7-3-6-10(12)8(2)11(7)16(14,15)13-9-4-5-9/h3,6,9,13H,4-5,12H2,1-2H3
InChIKeySAPGDQDJKIWRMU-UHFFFAOYSA-N
XLogP1.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.33
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

3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide
CID 114542968
3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
CID 106503553
2-amino-N-cyclopropyl-6-methylbenzenesulfonamide
CID 43452334
3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
CID 43257138
3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide
CID 61466577
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,6-dimethylbenzenesulfonamide
CID 43257654
3-amino-2,6-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80714898
6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide
CID 63360421
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 43256917
2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide
CID 61466874
3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257720
3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114424

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide (CID 43256969) is 3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide?
The InChIKey is SAPGDQDJKIWRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7-3-6-10(12)8(2)11(7)16(14,15)13-9-4-5-9/h3,6,9,13H,4-5,12H2,1-2H3.
What are the key properties of 3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide?
3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 43256969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).