N'-hydroxy-2-pentylsulfanylbutanimidamide

C9H20N2OS — CID 107749842

IUPACN'-hydroxy-2-pentylsulfanylbutanimidamide
SMILESCCCCCSC(CC)C(N)=NO
InChIInChI=1S/C9H20N2OS/c1-3-5-6-7-13-8(4-2)9(10)11-12/h8,12H,3-7H2,1-2H3,(H2,10,11)
InChIKeyHSKRAGCERGYYSK-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.43
Rot. Bonds7

About N'-hydroxy-2-pentylsulfanylbutanimidamide

N'-hydroxy-2-pentylsulfanylbutanimidamide (PubChem CID 107749842) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is N'-hydroxy-2-pentylsulfanylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-pentylsulfanylbutanimidamide
PubChem CID107749842
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC NameN'-hydroxy-2-pentylsulfanylbutanimidamide
SMILESCCCCCSC(CC)C(N)=NO
InChIInChI=1S/C9H20N2OS/c1-3-5-6-7-13-8(4-2)9(10)11-12/h8,12H,3-7H2,1-2H3,(H2,10,11)
InChIKeyHSKRAGCERGYYSK-UHFFFAOYSA-N
XLogP2.43
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-2-(2-hydroxyethylsulfanyl)butanimidamide
CID 76915973
N'-hydroxy-2-pentylsulfanylpropanimidamide
CID 107749862
N'-hydroxy-2-(2-methylsulfonylethylsulfanyl)butanimidamide
CID 77003954
2-butylsulfanyl-N'-hydroxypropanimidamide
CID 76915471
2-undecylsulfanylbutanoic acid
CID 175534549
2-dodecylsulfanylpentanamide
CID 89267031
N'-hydroxy-2-[(2-methylphenyl)methylsulfanyl]butanimidamide
CID 76948930
2-cyclohexylsulfanyl-N'-hydroxybutanimidamide
CID 76915858
2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybutanimidamide
CID 103288540
N'-hydroxy-2-[(3-methylphenyl)methylsulfanyl]butanimidamide
CID 76948913
N'-hydroxy-2-(oxan-4-ylsulfanyl)butanimidamide
CID 76980179
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-pentylsulfanylbutanimidamide?
The IUPAC name of N'-hydroxy-2-pentylsulfanylbutanimidamide (CID 107749842) is N'-hydroxy-2-pentylsulfanylbutanimidamide.
What is the SMILES notation for N'-hydroxy-2-pentylsulfanylbutanimidamide?
The canonical SMILES for N'-hydroxy-2-pentylsulfanylbutanimidamide is CCCCCSC(CC)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-pentylsulfanylbutanimidamide?
The InChIKey is HSKRAGCERGYYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-3-5-6-7-13-8(4-2)9(10)11-12/h8,12H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-pentylsulfanylbutanimidamide?
N'-hydroxy-2-pentylsulfanylbutanimidamide has a molecular weight of 204.34 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-pentylsulfanylbutanimidamide is sourced from PubChem (CID 107749842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).