N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine

C10H17N3O2S — CID 110755632

IUPACN-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(C)S(=O)(=O)N(C)CCc1ccncc1
InChIInChI=1S/C10H17N3O2S/c1-12(2)16(14,15)13(3)9-6-10-4-7-11-8-5-10/h4-5,7-8H,6,9H2,1-3H3
InChIKeyWLIZBALBFKFZJC-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.36
Rot. Bonds5

About N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine

N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 110755632) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
PubChem CID110755632
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(C)S(=O)(=O)N(C)CCc1ccncc1
InChIInChI=1S/C10H17N3O2S/c1-12(2)16(14,15)13(3)9-6-10-4-7-11-8-5-10/h4-5,7-8H,6,9H2,1-3H3
InChIKeyWLIZBALBFKFZJC-UHFFFAOYSA-N
XLogP0.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine (CID 110755632) is N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine is CN(C)S(=O)(=O)N(C)CCc1ccncc1.
What is the InChIKey of N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is WLIZBALBFKFZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-12(2)16(14,15)13(3)9-6-10-4-7-11-8-5-10/h4-5,7-8H,6,9H2,1-3H3.
What are the key properties of N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine?
N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 243.33 g/mol, XLogP of 0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 110755632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).