5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide

C15H24N2O2S — CID 61112746

IUPAC5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(CCC(C)C)C1CC1
InChIInChI=1S/C15H24N2O2S/c1-11(2)8-9-17(14-6-7-14)20(18,19)15-10-13(16)5-4-12(15)3/h4-5,10-11,14H,6-9,16H2,1-3H3
InChIKeyXQOYPGFMDKUZQK-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.78
Rot. Bonds6

About 5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide

5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 61112746) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID61112746
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(CCC(C)C)C1CC1
InChIInChI=1S/C15H24N2O2S/c1-11(2)8-9-17(14-6-7-14)20(18,19)15-10-13(16)5-4-12(15)3/h4-5,10-11,14H,6-9,16H2,1-3H3
InChIKeyXQOYPGFMDKUZQK-UHFFFAOYSA-N
XLogP2.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.78
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

5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 80628244
2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 61113499
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 80646267
3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113120
N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 79014602
N-cyclopropyl-3-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 79014594
N-cyclopropyl-2-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 79014588
2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115794
2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide
CID 103989018
4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61110862
5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 82948618

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide (CID 61112746) is 5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)N(CCC(C)C)C1CC1.
What is the InChIKey of 5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is XQOYPGFMDKUZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)8-9-17(14-6-7-14)20(18,19)15-10-13(16)5-4-12(15)3/h4-5,10-11,14H,6-9,16H2,1-3H3.
What are the key properties of 5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide?
5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 61112746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).