2-amino-N-butan-2-yl-N-methylbenzenesulfonamide

C11H18N2O2S — CID 43272487

IUPAC2-amino-N-butan-2-yl-N-methylbenzenesulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H18N2O2S/c1-4-9(2)13(3)16(14,15)11-8-6-5-7-10(11)12/h5-9H,4,12H2,1-3H3
InChIKeyAVHIPFXDJIFQIP-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.69
Rot. Bonds4

About 2-amino-N-butan-2-yl-N-methylbenzenesulfonamide

2-amino-N-butan-2-yl-N-methylbenzenesulfonamide (PubChem CID 43272487) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-N-methylbenzenesulfonamide
PubChem CID43272487
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-amino-N-butan-2-yl-N-methylbenzenesulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H18N2O2S/c1-4-9(2)13(3)16(14,15)11-8-6-5-7-10(11)12/h5-9H,4,12H2,1-3H3
InChIKeyAVHIPFXDJIFQIP-UHFFFAOYSA-N
XLogP1.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.69
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-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61116591
2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79484270
N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide
CID 43273076
N-[(2R)-butan-2-yl]-N-methyl-2-nitrobenzenesulfonamide
CID 11022024
2-amino-N,N-dipropylbenzenesulfonamide
CID 16783844
2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60980494
N-butan-2-yl-2-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 60845298
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
2-amino-N-(2-methylbutyl)benzenesulfonamide
CID 62699266
3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295489
N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
CID 21131549
N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120710579

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-butan-2-yl-N-methylbenzenesulfonamide (CID 43272487) is 2-amino-N-butan-2-yl-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-butan-2-yl-N-methylbenzenesulfonamide is CCC(C)N(C)S(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-butan-2-yl-N-methylbenzenesulfonamide?
The InChIKey is AVHIPFXDJIFQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-9(2)13(3)16(14,15)11-8-6-5-7-10(11)12/h5-9H,4,12H2,1-3H3.
What are the key properties of 2-amino-N-butan-2-yl-N-methylbenzenesulfonamide?
2-amino-N-butan-2-yl-N-methylbenzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-N-methylbenzenesulfonamide is sourced from PubChem (CID 43272487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).