1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide

C11H23N3OS2 — CID 104863540

IUPAC1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
SMILESCCSCCN1CCC(SC)(C(N)=NO)CC1
InChIInChI=1S/C11H23N3OS2/c1-3-17-9-8-14-6-4-11(16-2,5-7-14)10(12)13-15/h15H,3-9H2,1-2H3,(H2,12,13)
InChIKeyZGQNBXPOVIBNCM-UHFFFAOYSA-N
MW277.46 g/mol
LogP1.68
Rot. Bonds6

About 1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide

1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide (PubChem CID 104863540) has the molecular formula C11H23N3OS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
PubChem CID104863540
Molecular FormulaC11H23N3OS2
Molecular Weight277.46 g/mol
Exact Mass277.13
IUPAC Name1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
SMILESCCSCCN1CCC(SC)(C(N)=NO)CC1
InChIInChI=1S/C11H23N3OS2/c1-3-17-9-8-14-6-4-11(16-2,5-7-14)10(12)13-15/h15H,3-9H2,1-2H3,(H2,12,13)
InChIKeyZGQNBXPOVIBNCM-UHFFFAOYSA-N
XLogP1.68
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
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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Related Compounds

N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide
CID 104647780
N'-hydroxy-1-[2-(3-methylbutoxy)ethyl]-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108647
N'-hydroxy-4-methylsulfanyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide
CID 77108666
1-[(3-chlorophenyl)methyl]-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108638
N'-hydroxy-1-[(2-methylphenyl)methyl]-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108640
1-hexanoyl-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108952
1-(2-bicyclo[2.2.1]heptanylmethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 79551703
N'-hydroxy-4-methylsulfanyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide
CID 77108644
1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108637
N'-hydroxy-1-(2-methoxyacetyl)-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108950
4-(N'-hydroxycarbamimidoyl)-N,N-dimethyl-4-methylsulfanylpiperidine-1-carboxamide
CID 79153764
N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide
CID 79155123

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide?
The IUPAC name of 1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide (CID 104863540) is 1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide is CCSCCN1CCC(SC)(C(N)=NO)CC1.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide?
The InChIKey is ZGQNBXPOVIBNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS2/c1-3-17-9-8-14-6-4-11(16-2,5-7-14)10(12)13-15/h15H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of 1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide?
1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide has a molecular weight of 277.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide is sourced from PubChem (CID 104863540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).