1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene

C10H17N3O2S — CID 103110527

IUPAC1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene
SMILESCc1c(N)cccc1CNS(=O)(=O)N(C)C
InChIInChI=1S/C10H17N3O2S/c1-8-9(5-4-6-10(8)11)7-12-16(14,15)13(2)3/h4-6,12H,7,11H2,1-3H3
InChIKeyCNOKURXQIUZSAE-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.47
Rot. Bonds4

About 1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene

1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene (PubChem CID 103110527) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene.

Molecular Properties

Compound Name1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene
PubChem CID103110527
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene
SMILESCc1c(N)cccc1CNS(=O)(=O)N(C)C
InChIInChI=1S/C10H17N3O2S/c1-8-9(5-4-6-10(8)11)7-12-16(14,15)13(2)3/h4-6,12H,7,11H2,1-3H3
InChIKeyCNOKURXQIUZSAE-UHFFFAOYSA-N
XLogP0.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.47
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

N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide
CID 103110469
N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 103110630
N-[(3-amino-2-methylphenyl)methyl]-3-bromothiophene-2-sulfonamide
CID 103110455
N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide
CID 103110484
N-[(3-amino-2-methylphenyl)methyl]oxane-4-sulfonamide
CID 103110626
3-ethyl-2-methylaniline
CID 19879636
N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 103110598
N-[(3-amino-2-methylphenyl)methyl]-4-bromo-2-fluorobenzenesulfonamide
CID 103110634
1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene
CID 35383494
3-[(2-ethylsulfonylanilino)methyl]-2-methylaniline
CID 103110760
3-(tert-butylsulfonylmethyl)-2-methylaniline
CID 43509140
1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 62951963

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene?
The IUPAC name of 1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene (CID 103110527) is 1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene.
What is the SMILES notation for 1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene?
The canonical SMILES for 1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene is Cc1c(N)cccc1CNS(=O)(=O)N(C)C.
What is the InChIKey of 1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene?
The InChIKey is CNOKURXQIUZSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-9(5-4-6-10(8)11)7-12-16(14,15)13(2)3/h4-6,12H,7,11H2,1-3H3.
What are the key properties of 1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene?
1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene has a molecular weight of 243.33 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene is sourced from PubChem (CID 103110527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).