N-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide

C15H28N4O3S — CID 15100239

IUPACN-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
SMILESCCCCN(CCCN1CCOCC1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C15H28N4O3S/c1-3-4-7-19(8-5-6-18-9-11-22-12-10-18)23(20,21)15-13-17(2)14-16-15/h13-14H,3-12H2,1-2H3
InChIKeyROAWPNGZBFRJPS-UHFFFAOYSA-N
MW344.48 g/mol
LogP0.93
Rot. Bonds9

About N-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide

N-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide (PubChem CID 15100239) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
PubChem CID15100239
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC NameN-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
SMILESCCCCN(CCCN1CCOCC1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C15H28N4O3S/c1-3-4-7-19(8-5-6-18-9-11-22-12-10-18)23(20,21)15-13-17(2)14-16-15/h13-14H,3-12H2,1-2H3
InChIKeyROAWPNGZBFRJPS-UHFFFAOYSA-N
XLogP0.93
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
The IUPAC name of N-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide (CID 15100239) is N-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide.
What is the SMILES notation for N-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
The canonical SMILES for N-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide is CCCCN(CCCN1CCOCC1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
The InChIKey is ROAWPNGZBFRJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-3-4-7-19(8-5-6-18-9-11-22-12-10-18)23(20,21)15-13-17(2)14-16-15/h13-14H,3-12H2,1-2H3.
What are the key properties of N-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide?
N-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide has a molecular weight of 344.48 g/mol, XLogP of 0.93, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 15100239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).