N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide

C12H25N3O2S — CID 111211139

IUPACN',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCCS(C)(=O)=O)N1CCC(C)CC1
InChIInChI=1S/C12H25N3O2S/c1-11-5-8-15(9-6-11)12(13-2)14-7-4-10-18(3,16)17/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyVYTADAOGURVCGR-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.73
Rot. Bonds4

About N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide

N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide (PubChem CID 111211139) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide
PubChem CID111211139
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCCS(C)(=O)=O)N1CCC(C)CC1
InChIInChI=1S/C12H25N3O2S/c1-11-5-8-15(9-6-11)12(13-2)14-7-4-10-18(3,16)17/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyVYTADAOGURVCGR-UHFFFAOYSA-N
XLogP0.73
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.73
H-Bond Donors ≤ 51
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',4-dimethyl-N-[2-(2-methylsulfonylethoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111512533
N-(2-ethylsulfonylethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210016
N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130831
N',4-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111211910
N'-methyl-N-(3-methylsulfonylpropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442064
N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide
CID 111210302
N-(3-butoxypropyl)-N',4-dimethylpiperidine-1-carboximidamide
CID 111210317
N-(2-methoxyethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211562
4-bromo-N-[3-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]propyl]benzamide;hydroiodide
CID 111209940
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
4-(2-chlorophenyl)-N'-methyl-N-(3-methylsulfonylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111177333
3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
CID 113234945

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide (CID 111211139) is N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide is C/N=C(\NCCCS(C)(=O)=O)N1CCC(C)CC1.
What is the InChIKey of N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide?
The InChIKey is VYTADAOGURVCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-11-5-8-15(9-6-11)12(13-2)14-7-4-10-18(3,16)17/h11H,4-10H2,1-3H3,(H,13,14).
What are the key properties of N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide?
N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide has a molecular weight of 275.42 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111211139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).