1-(tert-butylsulfamoyl)piperidine-3-carboximidamide

C10H22N4O2S — CID 114813519

IUPAC1-(tert-butylsulfamoyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C10H22N4O2S/c1-10(2,3)13-17(15,16)14-6-4-5-8(7-14)9(11)12/h8,13H,4-7H2,1-3H3,(H3,11,12)
InChIKeyPKAKMJOAGWOSSX-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.27
Rot. Bonds3

About 1-(tert-butylsulfamoyl)piperidine-3-carboximidamide

1-(tert-butylsulfamoyl)piperidine-3-carboximidamide (PubChem CID 114813519) has the molecular formula C10H22N4O2S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(tert-butylsulfamoyl)piperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(tert-butylsulfamoyl)piperidine-3-carboximidamide
PubChem CID114813519
Molecular FormulaC10H22N4O2S
Molecular Weight262.38 g/mol
Exact Mass262.15
IUPAC Name1-(tert-butylsulfamoyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C10H22N4O2S/c1-10(2,3)13-17(15,16)14-6-4-5-8(7-14)9(11)12/h8,13H,4-7H2,1-3H3,(H3,11,12)
InChIKeyPKAKMJOAGWOSSX-UHFFFAOYSA-N
XLogP0.27
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.27
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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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfamoyl)piperidine-3-carboximidamide?
The IUPAC name of 1-(tert-butylsulfamoyl)piperidine-3-carboximidamide (CID 114813519) is 1-(tert-butylsulfamoyl)piperidine-3-carboximidamide.
What is the SMILES notation for 1-(tert-butylsulfamoyl)piperidine-3-carboximidamide?
The canonical SMILES for 1-(tert-butylsulfamoyl)piperidine-3-carboximidamide is [H]/N=C(\N)C1CCCN(S(=O)(=O)NC(C)(C)C)C1.
What is the InChIKey of 1-(tert-butylsulfamoyl)piperidine-3-carboximidamide?
The InChIKey is PKAKMJOAGWOSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S/c1-10(2,3)13-17(15,16)14-6-4-5-8(7-14)9(11)12/h8,13H,4-7H2,1-3H3,(H3,11,12).
What are the key properties of 1-(tert-butylsulfamoyl)piperidine-3-carboximidamide?
1-(tert-butylsulfamoyl)piperidine-3-carboximidamide has a molecular weight of 262.38 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfamoyl)piperidine-3-carboximidamide is sourced from PubChem (CID 114813519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).