3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide

C13H22N2O2S — CID 61114369

IUPAC3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)CCC(C)C
InChIInChI=1S/C13H22N2O2S/c1-10(2)8-9-15(4)18(16,17)13-7-5-6-12(14)11(13)3/h5-7,10H,8-9,14H2,1-4H3
InChIKeyOMJCYXZOIAKEQK-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.24
Rot. Bonds5

About 3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide

3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 61114369) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID61114369
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)CCC(C)C
InChIInChI=1S/C13H22N2O2S/c1-10(2)8-9-15(4)18(16,17)13-7-5-6-12(14)11(13)3/h5-7,10H,8-9,14H2,1-4H3
InChIKeyOMJCYXZOIAKEQK-UHFFFAOYSA-N
XLogP2.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.24
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

3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295489
3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197542
3-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914050
3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79490206
3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 43265428
2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113994
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526071
3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879068
3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112417
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43527306
3-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 43577683
2-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 55134560

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide (CID 61114369) is 3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)N(C)CCC(C)C.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is OMJCYXZOIAKEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10(2)8-9-15(4)18(16,17)13-7-5-6-12(14)11(13)3/h5-7,10H,8-9,14H2,1-4H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 61114369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).