1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide

C8H17N3O4S2 — CID 82843404

IUPAC1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(S(=O)(=O)CS(C)(=O)=O)C1
InChIInChI=1S/C8H17N3O4S2/c1-16(12,13)6-17(14,15)11-4-2-3-7(5-11)8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyWFRZKFIYTUARKE-UHFFFAOYSA-N
MW283.37 g/mol
LogP-1.03
Rot. Bonds4

About 1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide

1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide (PubChem CID 82843404) has the molecular formula C8H17N3O4S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide
PubChem CID82843404
Molecular FormulaC8H17N3O4S2
Molecular Weight283.37 g/mol
Exact Mass283.07
IUPAC Name1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(S(=O)(=O)CS(C)(=O)=O)C1
InChIInChI=1S/C8H17N3O4S2/c1-16(12,13)6-17(14,15)11-4-2-3-7(5-11)8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyWFRZKFIYTUARKE-UHFFFAOYSA-N
XLogP-1.03
TPSA121.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl (3S)-1-(methylsulfonylmethylsulfonyl)piperidine-3-carboxylate
CID 82843374
1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide
CID 114813516
1-(tert-butylsulfamoyl)piperidine-3-carboximidamide
CID 114813519
3-bromo-1-(methylsulfonylmethylsulfonyl)piperidine
CID 82842490
1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041761
1-(methylsulfonylmethylsulfonyl)piperidine-3-carbaldehyde
CID 82842702
1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine-3-carboximidamide
CID 107329515
1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol
CID 82843149
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 82843502
1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone
CID 82842240
1-sulfamoylpiperidine-3-carboxamide
CID 43132049

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide?
The IUPAC name of 1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide (CID 82843404) is 1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide.
What is the SMILES notation for 1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide?
The canonical SMILES for 1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide is [H]/N=C(\N)C1CCCN(S(=O)(=O)CS(C)(=O)=O)C1.
What is the InChIKey of 1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide?
The InChIKey is WFRZKFIYTUARKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S2/c1-16(12,13)6-17(14,15)11-4-2-3-7(5-11)8(9)10/h7H,2-6H2,1H3,(H3,9,10).
What are the key properties of 1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide?
1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide has a molecular weight of 283.37 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide is sourced from PubChem (CID 82843404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).