N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide

C10H20N4O2S — CID 79373974

IUPACN-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCCCCCN)c1
InChIInChI=1S/C10H20N4O2S/c1-2-14-8-10(12-9-14)17(15,16)13-7-5-3-4-6-11/h8-9,13H,2-7,11H2,1H3
InChIKeyNFCPUUYCHPSXTD-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.31
Rot. Bonds8

About N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide

N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide (PubChem CID 79373974) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide
PubChem CID79373974
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCCCCCN)c1
InChIInChI=1S/C10H20N4O2S/c1-2-14-8-10(12-9-14)17(15,16)13-7-5-3-4-6-11/h8-9,13H,2-7,11H2,1H3
InChIKeyNFCPUUYCHPSXTD-UHFFFAOYSA-N
XLogP0.31
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide (CID 79373974) is N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NCCCCCN)c1.
What is the InChIKey of N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is NFCPUUYCHPSXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-2-14-8-10(12-9-14)17(15,16)13-7-5-3-4-6-11/h8-9,13H,2-7,11H2,1H3.
What are the key properties of N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide?
N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 79373974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).