3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide

C13H24N4O2S — CID 61476143

IUPAC3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
SMILESCC(C)C(CN(C)C)Nc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H24N4O2S/c1-9(2)13(8-17(3)4)16-11-5-10(14)6-12(7-11)20(15,18)19/h5-7,9,13,16H,8,14H2,1-4H3,(H2,15,18,19)
InChIKeyPLNTUDNEHDJHKW-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.91
Rot. Bonds6

About 3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide

3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide (PubChem CID 61476143) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
PubChem CID61476143
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
SMILESCC(C)C(CN(C)C)Nc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H24N4O2S/c1-9(2)13(8-17(3)4)16-11-5-10(14)6-12(7-11)20(15,18)19/h5-7,9,13,16H,8,14H2,1-4H3,(H2,15,18,19)
InChIKeyPLNTUDNEHDJHKW-UHFFFAOYSA-N
XLogP0.91
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide (CID 61476143) is 3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide is CC(C)C(CN(C)C)Nc1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide?
The InChIKey is PLNTUDNEHDJHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-9(2)13(8-17(3)4)16-11-5-10(14)6-12(7-11)20(15,18)19/h5-7,9,13,16H,8,14H2,1-4H3,(H2,15,18,19).
What are the key properties of 3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide?
3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 61476143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).