3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide

C16H28N2O2S — CID 79490206

IUPAC3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C16H28N2O2S/c1-6-14(7-2)18(11-12(3)4)21(19,20)16-10-8-9-15(17)13(16)5/h8-10,12,14H,6-7,11,17H2,1-5H3
InChIKeyVEZIXWVXPXBTCG-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.41
Rot. Bonds7

About 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide

3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide (PubChem CID 79490206) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
PubChem CID79490206
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C16H28N2O2S/c1-6-14(7-2)18(11-12(3)4)21(19,20)16-10-8-9-15(17)13(16)5/h8-10,12,14H,6-7,11,17H2,1-5H3
InChIKeyVEZIXWVXPXBTCG-UHFFFAOYSA-N
XLogP3.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79484270
3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 43265428
3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295489
3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112417
3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114369
3-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 43577683
3-amino-4-hydroxy-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79490220
2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 61112978
6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide
CID 79483194
3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide
CID 29302571
2-amino-N-(2-ethylhexyl)-N-heptan-3-ylbenzenesulfonamide
CID 144577375
3-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914050

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide (CID 79490206) is 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide is CCC(CC)N(CC(C)C)S(=O)(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is VEZIXWVXPXBTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-14(7-2)18(11-12(3)4)21(19,20)16-10-8-9-15(17)13(16)5/h8-10,12,14H,6-7,11,17H2,1-5H3.
What are the key properties of 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide?
3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 79490206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).