4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide

C15H24N2O2S — CID 79353542

IUPAC4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2C(C)(C)C2(C)C)ccc1N
InChIInChI=1S/C15H24N2O2S/c1-10-8-11(6-7-12(10)16)20(18,19)17-9-13-14(2,3)15(13,4)5/h6-8,13,17H,9,16H2,1-5H3
InChIKeyHKNPFKVUOWFOHH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.54
Rot. Bonds4

About 4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide

4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 79353542) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
PubChem CID79353542
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2C(C)(C)C2(C)C)ccc1N
InChIInChI=1S/C15H24N2O2S/c1-10-8-11(6-7-12(10)16)20(18,19)17-9-13-14(2,3)15(13,4)5/h6-8,13,17H,9,16H2,1-5H3
InChIKeyHKNPFKVUOWFOHH-UHFFFAOYSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.54
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-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79352793
4-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79358755
4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79350323
3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79360331
3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79352658
4-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369102
3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274847
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106165658
5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 79356914
4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
CID 113495499
3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 103051755
N-(4-amino-3-methylphenyl)sulfonylpropanamide
CID 23596867

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide (CID 79353542) is 4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCC2C(C)(C)C2(C)C)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is HKNPFKVUOWFOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-8-11(6-7-12(10)16)20(18,19)17-9-13-14(2,3)15(13,4)5/h6-8,13,17H,9,16H2,1-5H3.
What are the key properties of 4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 79353542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).