2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide

C13H24N4O2S — CID 106036483

IUPAC2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
SMILESCC(C)N(C)CCCNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C13H24N4O2S/c1-10(2)17(3)9-5-8-16-11-6-4-7-12(13(11)14)20(15,18)19/h4,6-7,10,16H,5,8-9,14H2,1-3H3,(H2,15,18,19)
InChIKeyIIQGIDKKPFOVBA-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.06
Rot. Bonds7

About 2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide

2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide (PubChem CID 106036483) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
PubChem CID106036483
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
SMILESCC(C)N(C)CCCNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C13H24N4O2S/c1-10(2)17(3)9-5-8-16-11-6-4-7-12(13(11)14)20(15,18)19/h4,6-7,10,16H,5,8-9,14H2,1-3H3,(H2,15,18,19)
InChIKeyIIQGIDKKPFOVBA-UHFFFAOYSA-N
XLogP1.06
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3-methoxypropylamino)benzenesulfonamide
CID 112674652
2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992668
2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 112674921
2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992729
2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102903616
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
CID 112674946
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
CID 112674811
N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62641444
2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine
CID 62636793
2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 107116608
2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide
CID 115992256

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide (CID 106036483) is 2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide is CC(C)N(C)CCCNc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide?
The InChIKey is IIQGIDKKPFOVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-10(2)17(3)9-5-8-16-11-6-4-7-12(13(11)14)20(15,18)19/h4,6-7,10,16H,5,8-9,14H2,1-3H3,(H2,15,18,19).
What are the key properties of 2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide?
2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide is sourced from PubChem (CID 106036483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).