6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide

C15H27N3O2S — CID 61476354

IUPAC6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NC(CN(C)C)C(C)C)c1C
InChIInChI=1S/C15H27N3O2S/c1-10(2)14(9-18(5)6)17-21(19,20)15-12(4)11(3)7-8-13(15)16/h7-8,10,14,17H,9,16H2,1-6H3
InChIKeyNWDLSGPSWQGDPH-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.75
Rot. Bonds6

About 6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide

6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide (PubChem CID 61476354) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide
PubChem CID61476354
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NC(CN(C)C)C(C)C)c1C
InChIInChI=1S/C15H27N3O2S/c1-10(2)14(9-18(5)6)17-21(19,20)15-12(4)11(3)7-8-13(15)16/h7-8,10,14,17H,9,16H2,1-6H3
InChIKeyNWDLSGPSWQGDPH-UHFFFAOYSA-N
XLogP1.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.75
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-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79568750
6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43258845
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 61476316
2-[(6-amino-2,3-dimethylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103106560
6-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 65309956
4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476435
6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide
CID 93081246
6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864030
3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914039
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide
CID 61478066
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide
CID 61476398
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 79247641

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide (CID 61476354) is 6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)NC(CN(C)C)C(C)C)c1C.
What is the InChIKey of 6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide?
The InChIKey is NWDLSGPSWQGDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-10(2)14(9-18(5)6)17-21(19,20)15-12(4)11(3)7-8-13(15)16/h7-8,10,14,17H,9,16H2,1-6H3.
What are the key properties of 6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide?
6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 61476354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).