N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide

C10H22N4O2S — CID 111062631

IUPACN'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide
SMILESCCS(=O)(=O)NCC/N=C(\N)N1CCCCC1
InChIInChI=1S/C10H22N4O2S/c1-2-17(15,16)13-7-6-12-10(11)14-8-4-3-5-9-14/h13H,2-9H2,1H3,(H2,11,12)
InChIKeyQDCLEMHDWHZRPC-UHFFFAOYSA-N
MW262.38 g/mol
LogP-0.27
Rot. Bonds5

About N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide

N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide (PubChem CID 111062631) has the molecular formula C10H22N4O2S and a molecular weight of 262.38 g/mol. Its IUPAC name is N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide
PubChem CID111062631
Molecular FormulaC10H22N4O2S
Molecular Weight262.38 g/mol
Exact Mass262.15
IUPAC NameN'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide
SMILESCCS(=O)(=O)NCC/N=C(\N)N1CCCCC1
InChIInChI=1S/C10H22N4O2S/c1-2-17(15,16)13-7-6-12-10(11)14-8-4-3-5-9-14/h13H,2-9H2,1H3,(H2,11,12)
InChIKeyQDCLEMHDWHZRPC-UHFFFAOYSA-N
XLogP-0.27
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 5-0.27
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'}

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Related Compounds

N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide
CID 111043818
N'-propylazocane-1-carboximidamide
CID 62361040
tert-butyl 4-[N'-[3-(ethylsulfonylamino)propyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111093516
N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide
CID 111066435
N'-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]ethyl]azepane-1-carboximidamide
CID 120727925
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
ethyl 1-[N-ethyl-N'-[2-(ethylsulfonylamino)ethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993708
3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 111054620
N'-[3-(ethylsulfonylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111093532
1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine
CID 111062569
N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide
CID 109467785
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182

Frequently Asked Questions

What is the IUPAC name of N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide (CID 111062631) is N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide is CCS(=O)(=O)NCC/N=C(\N)N1CCCCC1.
What is the InChIKey of N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide?
The InChIKey is QDCLEMHDWHZRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S/c1-2-17(15,16)13-7-6-12-10(11)14-8-4-3-5-9-14/h13H,2-9H2,1H3,(H2,11,12).
What are the key properties of N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide?
N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide has a molecular weight of 262.38 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111062631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).