N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

C12H27IN4O2S — CID 111145153

IUPACN-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCNS(C)(=O)=O)N1CCCC(C)C1.I
InChIInChI=1S/C12H26N4O2S.HI/c1-11-6-4-9-16(10-11)12(13-2)14-7-5-8-15-19(3,17)18;/h11,15H,4-10H2,1-3H3,(H,13,14);1H
InChIKeyDDSNPANQHSRUGG-UHFFFAOYSA-N
MW418.35 g/mol
LogP0.85
Rot. Bonds5

About N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111145153) has the molecular formula C12H27IN4O2S and a molecular weight of 418.35 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111145153
Molecular FormulaC12H27IN4O2S
Molecular Weight418.35 g/mol
Exact Mass418.09
IUPAC NameN-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCNS(C)(=O)=O)N1CCCC(C)C1.I
InChIInChI=1S/C12H26N4O2S.HI/c1-11-6-4-9-16(10-11)12(13-2)14-7-5-8-15-19(3,17)18;/h11,15H,4-10H2,1-3H3,(H,13,14);1H
InChIKeyDDSNPANQHSRUGG-UHFFFAOYSA-N
XLogP0.85
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.35
LogP ≤ 50.85
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methanesulfonamido)ethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111145038
N-ethyl-N'-[2-(methanesulfonamido)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144709
N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130831
N',3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111145115
N',3-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-carboximidamide;hydroiodide
CID 111143715
N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111979734
N',3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111143864
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-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145255
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111145153) is N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCCNS(C)(=O)=O)N1CCCC(C)C1.I.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is DDSNPANQHSRUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S.HI/c1-11-6-4-9-16(10-11)12(13-2)14-7-5-8-15-19(3,17)18;/h11,15H,4-10H2,1-3H3,(H,13,14);1H.
What are the key properties of N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 418.35 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111145153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).