3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide

C10H18N4O2S — CID 62483234

IUPAC3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCN)c(N)c1
InChIInChI=1S/C10H18N4O2S/c1-14(2)17(15,16)8-3-4-10(9(12)7-8)13-6-5-11/h3-4,7,13H,5-6,11-12H2,1-2H3
InChIKeyRZLWOHLGYHRHBL-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.11
Rot. Bonds5

About 3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide

3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 62483234) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID62483234
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCN)c(N)c1
InChIInChI=1S/C10H18N4O2S/c1-14(2)17(15,16)8-3-4-10(9(12)7-8)13-6-5-11/h3-4,7,13H,5-6,11-12H2,1-2H3
InChIKeyRZLWOHLGYHRHBL-UHFFFAOYSA-N
XLogP-0.11
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43162681
4-(2-aminoethylamino)-N,N-dimethyl-3-nitrobenzenesulfonamide
CID 43162671
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 115358157
3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide
CID 106275246
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82899992
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
3-amino-N,N-dimethyl-4-(2-methylanilino)benzenesulfonamide
CID 43341118
4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
CID 82898353
2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide
CID 43545447
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
CID 43534380

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide (CID 62483234) is 3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NCCN)c(N)c1.
What is the InChIKey of 3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is RZLWOHLGYHRHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-14(2)17(15,16)8-3-4-10(9(12)7-8)13-6-5-11/h3-4,7,13H,5-6,11-12H2,1-2H3.
What are the key properties of 3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide?
3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 62483234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).