N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide

C13H26N4O2S — CID 119981388

IUPACN-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1cn(CC(C)C)cn1
InChIInChI=1S/C13H26N4O2S/c1-5-13(6-2,9-14)16-20(18,19)12-8-17(10-15-12)7-11(3)4/h8,10-11,16H,5-7,9,14H2,1-4H3
InChIKeyDEEKGTUVKXGCRV-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.33
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide (PubChem CID 119981388) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide
PubChem CID119981388
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1cn(CC(C)C)cn1
InChIInChI=1S/C13H26N4O2S/c1-5-13(6-2,9-14)16-20(18,19)12-8-17(10-15-12)7-11(3)4/h8,10-11,16H,5-7,9,14H2,1-4H3
InChIKeyDEEKGTUVKXGCRV-UHFFFAOYSA-N
XLogP1.33
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide (CID 119981388) is N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide is CCC(CC)(CN)NS(=O)(=O)c1cn(CC(C)C)cn1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide?
The InChIKey is DEEKGTUVKXGCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-5-13(6-2,9-14)16-20(18,19)12-8-17(10-15-12)7-11(3)4/h8,10-11,16H,5-7,9,14H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 119981388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).