N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide

C8H19N3OS — CID 77027857

IUPACN'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide
SMILESCSCCNCCCCC(N)=NO
InChIInChI=1S/C8H19N3OS/c1-13-7-6-10-5-3-2-4-8(9)11-12/h10,12H,2-7H2,1H3,(H2,9,11)
InChIKeySLGYLYBLCQNTTA-UHFFFAOYSA-N
MW205.33 g/mol
LogP0.86
Rot. Bonds8

About N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide

N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide (PubChem CID 77027857) has the molecular formula C8H19N3OS and a molecular weight of 205.33 g/mol. Its IUPAC name is N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide
PubChem CID77027857
Molecular FormulaC8H19N3OS
Molecular Weight205.33 g/mol
Exact Mass205.12
IUPAC NameN'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide
SMILESCSCCNCCCCC(N)=NO
InChIInChI=1S/C8H19N3OS/c1-13-7-6-10-5-3-2-4-8(9)11-12/h10,12H,2-7H2,1H3,(H2,9,11)
InChIKeySLGYLYBLCQNTTA-UHFFFAOYSA-N
XLogP0.86
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
5-(2-ethoxyethylamino)-N'-hydroxypentanimidamide
CID 77027141
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
5-(2-butoxyethylamino)-N'-hydroxypentanimidamide
CID 77030771
N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide
CID 77026148
5-(3-ethoxypropylamino)-N'-hydroxypentanimidamide
CID 77025981
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide
CID 107317932
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
5-(2-cyclopropylethylamino)-N'-hydroxypentanimidamide
CID 77072404
2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide
CID 106237637
4-(2-methylsulfanylethylamino)butan-1-ol
CID 63964871

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide (CID 77027857) is N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide is CSCCNCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide?
The InChIKey is SLGYLYBLCQNTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3OS/c1-13-7-6-10-5-3-2-4-8(9)11-12/h10,12H,2-7H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide?
N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide has a molecular weight of 205.33 g/mol, XLogP of 0.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide is sourced from PubChem (CID 77027857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).