2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide

C14H25N3O2S — CID 61476316

IUPAC2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CN(C)C)C(C)C)c(N)c1
InChIInChI=1S/C14H25N3O2S/c1-10(2)13(9-17(4)5)16-20(18,19)14-7-6-11(3)8-12(14)15/h6-8,10,13,16H,9,15H2,1-5H3
InChIKeyCIPCZTGLDRGPRU-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.44
Rot. Bonds6

About 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide

2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 61476316) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
PubChem CID61476316
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CN(C)C)C(C)C)c(N)c1
InChIInChI=1S/C14H25N3O2S/c1-10(2)13(9-17(4)5)16-20(18,19)14-7-6-11(3)8-12(14)15/h6-8,10,13,16H,9,15H2,1-5H3
InChIKeyCIPCZTGLDRGPRU-UHFFFAOYSA-N
XLogP1.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476056
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide
CID 61476398
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide
CID 61476241
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79568750
2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61110431
6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 61476354
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide
CID 81241641
ethyl 2-[(2-amino-4-methylphenyl)sulfonylamino]propanoate
CID 61498584
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide
CID 61478066
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596
4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476435
6-(aminomethyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-sulfonamide
CID 114613286

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide (CID 61476316) is 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CN(C)C)C(C)C)c(N)c1.
What is the InChIKey of 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is CIPCZTGLDRGPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-10(2)13(9-17(4)5)16-20(18,19)14-7-6-11(3)8-12(14)15/h6-8,10,13,16H,9,15H2,1-5H3.
What are the key properties of 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide?
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 61476316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).