5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide

C14H25N3O2S — CID 103287184

IUPAC5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide
SMILESCCC(C)CN(CC)c1ccc(N)cc1S(=O)(=O)NC
InChIInChI=1S/C14H25N3O2S/c1-5-11(3)10-17(6-2)13-8-7-12(15)9-14(13)20(18,19)16-4/h7-9,11,16H,5-6,10,15H2,1-4H3
InChIKeyUMFCZFVFFOKOOY-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.05
Rot. Bonds7

About 5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide

5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide (PubChem CID 103287184) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide
PubChem CID103287184
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide
SMILESCCC(C)CN(CC)c1ccc(N)cc1S(=O)(=O)NC
InChIInChI=1S/C14H25N3O2S/c1-5-11(3)10-17(6-2)13-8-7-12(15)9-14(13)20(18,19)16-4/h7-9,11,16H,5-6,10,15H2,1-4H3
InChIKeyUMFCZFVFFOKOOY-UHFFFAOYSA-N
XLogP2.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide
CID 103286581
5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide
CID 103286765
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 79478202
1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 79477025
ethyl 5-amino-2-[ethyl(2-methylbutyl)amino]benzoate
CID 79470096
5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide
CID 103287793
5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286700
5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286784
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637
4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline
CID 79482768
5-amino-2-[2-cyanoethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286583
2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide
CID 80645953

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide (CID 103287184) is 5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide is CCC(C)CN(CC)c1ccc(N)cc1S(=O)(=O)NC.
What is the InChIKey of 5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is UMFCZFVFFOKOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-11(3)10-17(6-2)13-8-7-12(15)9-14(13)20(18,19)16-4/h7-9,11,16H,5-6,10,15H2,1-4H3.
What are the key properties of 5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide?
5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).