N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

C11H25IN4O2S — CID 119130831

IUPACN-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCNS(C)(=O)=O)N1CCC(C)CC1.I
InChIInChI=1S/C11H24N4O2S.HI/c1-10-4-8-15(9-5-10)11(12-2)13-6-7-14-18(3,16)17;/h10,14H,4-9H2,1-3H3,(H,12,13);1H
InChIKeyLWPPCZMHRPNEEY-UHFFFAOYSA-N
MW404.32 g/mol
LogP0.46
Rot. Bonds4

About N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 119130831) has the molecular formula C11H25IN4O2S and a molecular weight of 404.32 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID119130831
Molecular FormulaC11H25IN4O2S
Molecular Weight404.32 g/mol
Exact Mass404.07
IUPAC NameN-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCNS(C)(=O)=O)N1CCC(C)CC1.I
InChIInChI=1S/C11H24N4O2S.HI/c1-10-4-8-15(9-5-10)11(12-2)13-6-7-14-18(3,16)17;/h10,14H,4-9H2,1-3H3,(H,12,13);1H
InChIKeyLWPPCZMHRPNEEY-UHFFFAOYSA-N
XLogP0.46
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 50.46
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-(2-ethylsulfonylethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210016
N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide
CID 111211139
N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211789
N',4-dimethyl-N-[2-(2-methylsulfonylethoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111512533
N-[3-(methanesulfonamido)propyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145153
N',4-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111211910
N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111209855
N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide
CID 111210302
N-(2-methoxyethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211562
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210097
3-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111210468

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 119130831) is N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCNS(C)(=O)=O)N1CCC(C)CC1.I.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is LWPPCZMHRPNEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2S.HI/c1-10-4-8-15(9-5-10)11(12-2)13-6-7-14-18(3,16)17;/h10,14H,4-9H2,1-3H3,(H,12,13);1H.
What are the key properties of N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 404.32 g/mol, XLogP of 0.46, 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',4-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119130831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).