1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene

C12H21N3O2S — CID 103144698

IUPAC1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene
SMILESCCN(CC)S(=O)(=O)Nc1cc(C)c(N)cc1C
InChIInChI=1S/C12H21N3O2S/c1-5-15(6-2)18(16,17)14-12-8-9(3)11(13)7-10(12)4/h7-8,14H,5-6,13H2,1-4H3
InChIKeyKSZDZONOIVDECA-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.88
Rot. Bonds5

About 1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene

1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene (PubChem CID 103144698) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene
PubChem CID103144698
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene
SMILESCCN(CC)S(=O)(=O)Nc1cc(C)c(N)cc1C
InChIInChI=1S/C12H21N3O2S/c1-5-15(6-2)18(16,17)14-12-8-9(3)11(13)7-10(12)4/h7-8,14H,5-6,13H2,1-4H3
InChIKeyKSZDZONOIVDECA-UHFFFAOYSA-N
XLogP1.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-Diaminotoluene sulfate
CID 22856
N,N-Dimethyl-N'-p-tolylsulphamide
CID 738302
4-Amino-3-methyl-N-ethyl-N-(beta-(methanesulfonamido)ethyl)aniline
CID 66693
2-Amino-5-(diethylamino)toluene
CID 67364
2,5-Dimethyl-p-phenylenediamine
CID 160824
Mls002638339
CID 224941
[(Dimethylamino)sulfonyl](4-butylphenyl)amine
CID 2162823
N'-(4-ethylphenyl)-N,N-dimethylsulfamide
CID 885193
(4-Azaniumyl-2-methylphenyl)azanium;sulfate
CID 12106252
Methanesulfonamide, N-(2-(2-amino-5-(diethylamino)phenyl)ethyl)-, hydrochloride
CID 112753
N-(2-Methylphenyl)sulfuric diamide
CID 45117536
1-(Dimethylsulfamoylamino)-2-propan-2-ylbenzene
CID 875429

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene?
The IUPAC name of 1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene (CID 103144698) is 1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene.
What is the SMILES notation for 1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene?
The canonical SMILES for 1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene is CCN(CC)S(=O)(=O)Nc1cc(C)c(N)cc1C.
What is the InChIKey of 1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene?
The InChIKey is KSZDZONOIVDECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-15(6-2)18(16,17)14-12-8-9(3)11(13)7-10(12)4/h7-8,14H,5-6,13H2,1-4H3.
What are the key properties of 1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene?
1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene has a molecular weight of 271.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(diethylsulfamoylamino)-2,5-dimethylbenzene is sourced from PubChem (CID 103144698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).