1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide

C9H20N4O2S — CID 114813516

IUPAC1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(S(=O)(=O)NC(C)C)C1
InChIInChI=1S/C9H20N4O2S/c1-7(2)12-16(14,15)13-5-3-4-8(6-13)9(10)11/h7-8,12H,3-6H2,1-2H3,(H3,10,11)
InChIKeyWIDNAHVITDJBMA-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.12
Rot. Bonds4

About 1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide

1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide (PubChem CID 114813516) has the molecular formula C9H20N4O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide
PubChem CID114813516
Molecular FormulaC9H20N4O2S
Molecular Weight248.35 g/mol
Exact Mass248.13
IUPAC Name1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(S(=O)(=O)NC(C)C)C1
InChIInChI=1S/C9H20N4O2S/c1-7(2)12-16(14,15)13-5-3-4-8(6-13)9(10)11/h7-8,12H,3-6H2,1-2H3,(H3,10,11)
InChIKeyWIDNAHVITDJBMA-UHFFFAOYSA-N
XLogP-0.12
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-(tert-butylsulfamoyl)piperidine-3-carboximidamide
CID 114813519
1-(methylsulfonylmethylsulfonyl)piperidine-3-carboximidamide
CID 82843404
(3R)-3-amino-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 104978147
1-methylpiperidine-3-carboximidamide
CID 42614742
1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine-3-carboximidamide
CID 107329515
3-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-sulfonamide
CID 115969767
ethyl 1-(1-aminopropan-2-ylsulfamoyl)piperidine-3-carboxylate
CID 63730934
1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 61473233
1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 79254422
3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 114813108
1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859129
methyl 2-(piperidin-1-ylsulfonylamino)propanoate
CID 60723843

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide?
The IUPAC name of 1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide (CID 114813516) is 1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide.
What is the SMILES notation for 1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide?
The canonical SMILES for 1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide is [H]/N=C(\N)C1CCCN(S(=O)(=O)NC(C)C)C1.
What is the InChIKey of 1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide?
The InChIKey is WIDNAHVITDJBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2S/c1-7(2)12-16(14,15)13-5-3-4-8(6-13)9(10)11/h7-8,12H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide?
1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide has a molecular weight of 248.35 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylsulfamoyl)piperidine-3-carboximidamide is sourced from PubChem (CID 114813516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).