N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide

C11H24N4O2S — CID 111145038

IUPACN-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCCNS(C)(=O)=O)N1CCCC(C)C1
InChIInChI=1S/C11H24N4O2S/c1-10-5-4-8-15(9-10)11(12-2)13-6-7-14-18(3,16)17/h10,14H,4-9H2,1-3H3,(H,12,13)
InChIKeyRTLKVFMOGAZSAN-UHFFFAOYSA-N
MW276.41 g/mol
LogP-0.16
Rot. Bonds4

About N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide

N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide (PubChem CID 111145038) has the molecular formula C11H24N4O2S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide
PubChem CID111145038
Molecular FormulaC11H24N4O2S
Molecular Weight276.41 g/mol
Exact Mass276.16
IUPAC NameN-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCCNS(C)(=O)=O)N1CCCC(C)C1
InChIInChI=1S/C11H24N4O2S/c1-10-5-4-8-15(9-10)11(12-2)13-6-7-14-18(3,16)17/h10,14H,4-9H2,1-3H3,(H,12,13)
InChIKeyRTLKVFMOGAZSAN-UHFFFAOYSA-N
XLogP-0.16
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 5-0.16
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-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145153
N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130831
N-ethyl-N'-[2-(methanesulfonamido)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144709
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111145986
N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide
CID 111145570
N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111979734
N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 94809178
methyl 3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanoate
CID 111145348
N',3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111143864
N',3-dimethyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111146048
N-[2-[cyclohexyl(methyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111143840
N',3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111145115

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide (CID 111145038) is N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide is C/N=C(\NCCNS(C)(=O)=O)N1CCCC(C)C1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide?
The InChIKey is RTLKVFMOGAZSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2S/c1-10-5-4-8-15(9-10)11(12-2)13-6-7-14-18(3,16)17/h10,14H,4-9H2,1-3H3,(H,12,13).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide?
N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide has a molecular weight of 276.41 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111145038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).