N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride

C16H24ClN7O2S2 — CID 67063946

IUPACN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride
SMILESCl.Nc1ncc(CCCCCc2cn(CCNS(=O)(=O)c3cccs3)nn2)[nH]1
InChIInChI=1S/C16H23N7O2S2.ClH/c17-16-18-11-13(20-16)5-2-1-3-6-14-12-23(22-21-14)9-8-19-27(24,25)15-7-4-10-26-15;/h4,7,10-12,19H,1-3,5-6,8-9H2,(H3,17,18,20);1H
InChIKeyMAGNPFQIQULOAF-UHFFFAOYSA-N
MW446.00 g/mol
LogP2.00
Rot. Bonds11

About N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride

N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 67063946) has the molecular formula C16H24ClN7O2S2 and a molecular weight of 446.00 g/mol. Its IUPAC name is N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID67063946
Molecular FormulaC16H24ClN7O2S2
Molecular Weight446.00 g/mol
Exact Mass445.11
IUPAC NameN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride
SMILESCl.Nc1ncc(CCCCCc2cn(CCNS(=O)(=O)c3cccs3)nn2)[nH]1
InChIInChI=1S/C16H23N7O2S2.ClH/c17-16-18-11-13(20-16)5-2-1-3-6-14-12-23(22-21-14)9-8-19-27(24,25)15-7-4-10-26-15;/h4,7,10-12,19H,1-3,5-6,8-9H2,(H3,17,18,20);1H
InChIKeyMAGNPFQIQULOAF-UHFFFAOYSA-N
XLogP2.00
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.00
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride (CID 67063946) is N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride is Cl.Nc1ncc(CCCCCc2cn(CCNS(=O)(=O)c3cccs3)nn2)[nH]1.
What is the InChIKey of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is MAGNPFQIQULOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2S2.ClH/c17-16-18-11-13(20-16)5-2-1-3-6-14-12-23(22-21-14)9-8-19-27(24,25)15-7-4-10-26-15;/h4,7,10-12,19H,1-3,5-6,8-9H2,(H3,17,18,20);1H.
What are the key properties of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride?
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 446.00 g/mol, XLogP of 2.00, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 67063946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).