1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide

C11H24N4O2S — CID 114813327

IUPAC1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC(C)C)CCCCCC1
InChIInChI=1S/C11H24N4O2S/c1-9(2)14-18(16,17)15-11(10(12)13)7-5-3-4-6-8-11/h9,14-15H,3-8H2,1-2H3,(H3,12,13)
InChIKeyCOUCLOKYWOHCLY-UHFFFAOYSA-N
MW276.41 g/mol
LogP0.85
Rot. Bonds5

About 1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide

1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide (PubChem CID 114813327) has the molecular formula C11H24N4O2S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide.

Molecular Properties

Compound Name1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide
PubChem CID114813327
Molecular FormulaC11H24N4O2S
Molecular Weight276.41 g/mol
Exact Mass276.16
IUPAC Name1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC(C)C)CCCCCC1
InChIInChI=1S/C11H24N4O2S/c1-9(2)14-18(16,17)15-11(10(12)13)7-5-3-4-6-8-11/h9,14-15H,3-8H2,1-2H3,(H3,12,13)
InChIKeyCOUCLOKYWOHCLY-UHFFFAOYSA-N
XLogP0.85
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 50.85
H-Bond Donors ≤ 54
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-(2,2,2-Trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 114813330
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboximidamide
CID 64405917
1-[(2-Methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboximidamide
CID 64406962
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide
CID 64407160
1-(Diethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 64407592
1-(Dimethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 64408628
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboximidamide
CID 76904460
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978304
1-(cyclopropylsulfamoylamino)-N'-hydroxycycloheptane-1-carboximidamide
CID 104978335
N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978336
1-(tert-butylsulfamoylamino)-N'-hydroxycycloheptane-1-carboximidamide
CID 104978337
N'-hydroxy-1-(propylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978338

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide?
The IUPAC name of 1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide (CID 114813327) is 1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide.
What is the SMILES notation for 1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide?
The canonical SMILES for 1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NC(C)C)CCCCCC1.
What is the InChIKey of 1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide?
The InChIKey is COUCLOKYWOHCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2S/c1-9(2)14-18(16,17)15-11(10(12)13)7-5-3-4-6-8-11/h9,14-15H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide?
1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide has a molecular weight of 276.41 g/mol, XLogP of 0.85, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide is sourced from PubChem (CID 114813327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).