3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide

C13H20N2O2S — CID 106504779

IUPAC3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC2CC2C)c1C
InChIInChI=1S/C13H20N2O2S/c1-7-5-11(14)10(4)13(9(7)3)18(16,17)15-12-6-8(12)2/h5,8,12,15H,6,14H2,1-4H3
InChIKeyGPDNLGJHRLSLDL-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.88
Rot. Bonds3

About 3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide

3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide (PubChem CID 106504779) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide
PubChem CID106504779
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC2CC2C)c1C
InChIInChI=1S/C13H20N2O2S/c1-7-5-11(14)10(4)13(9(7)3)18(16,17)15-12-6-8(12)2/h5,8,12,15H,6,14H2,1-4H3
InChIKeyGPDNLGJHRLSLDL-UHFFFAOYSA-N
XLogP1.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.88
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-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
CID 106503553
3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,5,6-trimethylbenzenesulfonamide
CID 107213471
2-amino-6-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62397102
3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 116791808
3-amino-N-cyclohex-3-en-1-yl-2,5,6-trimethylbenzenesulfonamide
CID 106505035
3-amino-2,5,6-trimethyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411106
3-amino-N-(1,3-dihydroxypropan-2-yl)-2,5,6-trimethylbenzenesulfonamide
CID 106505014
3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106503730
3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide
CID 106505416
5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide
CID 63996239
4-amino-2,6-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 79588504
3-amino-2,5,6-trimethyl-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106223613

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide (CID 106504779) is 3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NC2CC2C)c1C.
What is the InChIKey of 3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide?
The InChIKey is GPDNLGJHRLSLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-7-5-11(14)10(4)13(9(7)3)18(16,17)15-12-6-8(12)2/h5,8,12,15H,6,14H2,1-4H3.
What are the key properties of 3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide?
3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 106504779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).