4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide

C15H25N3O3S — CID 120710324

IUPAC4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C15H25N3O3S/c1-5-15(6-2,11-16)17-22(20,21)13-9-7-12(8-10-13)14(19)18(3)4/h7-10,17H,5-6,11,16H2,1-4H3
InChIKeyMKXAJFWQDXECMG-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.18
Rot. Bonds7

About 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide

4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide (PubChem CID 120710324) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide
PubChem CID120710324
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C15H25N3O3S/c1-5-15(6-2,11-16)17-22(20,21)13-9-7-12(8-10-13)14(19)18(3)4/h7-10,17H,5-6,11,16H2,1-4H3
InChIKeyMKXAJFWQDXECMG-UHFFFAOYSA-N
XLogP1.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide (CID 120710324) is 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide is CCC(CC)(CN)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is MKXAJFWQDXECMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-5-15(6-2,11-16)17-22(20,21)13-9-7-12(8-10-13)14(19)18(3)4/h7-10,17H,5-6,11,16H2,1-4H3.
What are the key properties of 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide?
4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 327.45 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 120710324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).