N'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide

C10H23N3O2S — CID 106311062

IUPACN'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide
SMILESNC(CCCCNCCSCCCO)=NO
InChIInChI=1S/C10H23N3O2S/c11-10(13-15)4-1-2-5-12-6-9-16-8-3-7-14/h12,14-15H,1-9H2,(H2,11,13)
InChIKeyXMNHCENWWHFKAH-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.61
Rot. Bonds11

About N'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide

N'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide (PubChem CID 106311062) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide
PubChem CID106311062
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide
SMILESNC(CCCCNCCSCCCO)=NO
InChIInChI=1S/C10H23N3O2S/c11-10(13-15)4-1-2-5-12-6-9-16-8-3-7-14/h12,14-15H,1-9H2,(H2,11,13)
InChIKeyXMNHCENWWHFKAH-UHFFFAOYSA-N
XLogP0.61
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide (CID 106311062) is N'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide is NC(CCCCNCCSCCCO)=NO.
What is the InChIKey of N'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide?
The InChIKey is XMNHCENWWHFKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c11-10(13-15)4-1-2-5-12-6-9-16-8-3-7-14/h12,14-15H,1-9H2,(H2,11,13).
What are the key properties of N'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide?
N'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide has a molecular weight of 249.38 g/mol, XLogP of 0.61, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-(3-hydroxypropylsulfanyl)ethylamino]pentanimidamide is sourced from PubChem (CID 106311062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).