2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene

C10H17N3O2S — CID 107802276

IUPAC2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene
SMILESCc1cccc(NS(=O)(=O)N(C)C)c1CN
InChIInChI=1S/C10H17N3O2S/c1-8-5-4-6-10(9(8)7-11)12-16(14,15)13(2)3/h4-6,12H,7,11H2,1-3H3
InChIKeyFZDAORYAWLCFBZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.67
Rot. Bonds4

About 2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene

2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene (PubChem CID 107802276) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene.

Molecular Properties

Compound Name2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene
PubChem CID107802276
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene
SMILESCc1cccc(NS(=O)(=O)N(C)C)c1CN
InChIInChI=1S/C10H17N3O2S/c1-8-5-4-6-10(9(8)7-11)12-16(14,15)13(2)3/h4-6,12H,7,11H2,1-3H3
InChIKeyFZDAORYAWLCFBZ-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene?
The IUPAC name of 2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene (CID 107802276) is 2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene.
What is the SMILES notation for 2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene?
The canonical SMILES for 2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene is Cc1cccc(NS(=O)(=O)N(C)C)c1CN.
What is the InChIKey of 2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene?
The InChIKey is FZDAORYAWLCFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-5-4-6-10(9(8)7-11)12-16(14,15)13(2)3/h4-6,12H,7,11H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene?
2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene has a molecular weight of 243.33 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(dimethylsulfamoylamino)-3-methylbenzene is sourced from PubChem (CID 107802276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).