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

C13H23N3O2S — CID 61480429

IUPAC4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
SMILESCC(C)C(CN(C)C)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H23N3O2S/c1-10(2)13(9-16(3)4)15-11-5-7-12(8-6-11)19(14,17)18/h5-8,10,13,15H,9H2,1-4H3,(H2,14,17,18)
InChIKeyUQYYWXXINVFRLJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.33
Rot. Bonds6

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

4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide (PubChem CID 61480429) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
PubChem CID61480429
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
SMILESCC(C)C(CN(C)C)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H23N3O2S/c1-10(2)13(9-16(3)4)15-11-5-7-12(8-6-11)19(14,17)18/h5-8,10,13,15H,9H2,1-4H3,(H2,14,17,18)
InChIKeyUQYYWXXINVFRLJ-UHFFFAOYSA-N
XLogP1.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
CID 61476143
4-[(1-amino-4-methylpentan-3-yl)amino]benzenesulfonamide
CID 106357642
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide
CID 61478066
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
CID 24838174
4-(nonan-2-ylamino)benzenesulfonamide
CID 43129810
4-methyl-3-N-(4-methylsulfonylphenyl)pentane-1,3-diamine
CID 114178237
4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide
CID 63292300
(2S)-2-(4-ethylsulfonylanilino)-3-methylbutan-1-ol
CID 79246558
4-[3-(dimethylamino)propylamino]benzenesulfonamide
CID 23290121
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzenecarbothioamide
CID 81276876
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide (CID 61480429) is 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide is CC(C)C(CN(C)C)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide?
The InChIKey is UQYYWXXINVFRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10(2)13(9-16(3)4)15-11-5-7-12(8-6-11)19(14,17)18/h5-8,10,13,15H,9H2,1-4H3,(H2,14,17,18).
What are the key properties of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide?
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 61480429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).