1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide

C8H17N3O3S — CID 77041761

IUPAC1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide
SMILESCCS(=O)(=O)N1CCCC(C(N)=NO)C1
InChIInChI=1S/C8H17N3O3S/c1-2-15(13,14)11-5-3-4-7(6-11)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeySEAQUTTVYKKAIR-UHFFFAOYSA-N
MW235.31 g/mol
LogP-0.21
Rot. Bonds3

About 1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide

1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 77041761) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide
PubChem CID77041761
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide
SMILESCCS(=O)(=O)N1CCCC(C(N)=NO)C1
InChIInChI=1S/C8H17N3O3S/c1-2-15(13,14)11-5-3-4-7(6-11)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeySEAQUTTVYKKAIR-UHFFFAOYSA-N
XLogP-0.21
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041332
1-(1-ethylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 79373841
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041861
1-(4-bromophenyl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041493
N-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 3497697
1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 3238187
1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide
CID 106725367
N-(1-cyclopropylcyclopropyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 126810680
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447237
N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 79162286
1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041256
1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide
CID 82843404

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide (CID 77041761) is 1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide is CCS(=O)(=O)N1CCCC(C(N)=NO)C1.
What is the InChIKey of 1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is SEAQUTTVYKKAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-2-15(13,14)11-5-3-4-7(6-11)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of 1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide?
1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 235.31 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 77041761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).