1-(sulfamoylamino)cycloheptane-1-carboximidamide

C8H18N4O2S — CID 114959695

IUPAC1-(sulfamoylamino)cycloheptane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(N)(=O)=O)CCCCCC1
InChIInChI=1S/C8H18N4O2S/c9-7(10)8(12-15(11,13)14)5-3-1-2-4-6-8/h12H,1-6H2,(H3,9,10)(H2,11,13,14)
InChIKeyJKRYHUZFTDSRAS-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.19
Rot. Bonds3

About 1-(sulfamoylamino)cycloheptane-1-carboximidamide

1-(sulfamoylamino)cycloheptane-1-carboximidamide (PubChem CID 114959695) has the molecular formula C8H18N4O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(sulfamoylamino)cycloheptane-1-carboximidamide.

Molecular Properties

Compound Name1-(sulfamoylamino)cycloheptane-1-carboximidamide
PubChem CID114959695
Molecular FormulaC8H18N4O2S
Molecular Weight234.32 g/mol
Exact Mass234.12
IUPAC Name1-(sulfamoylamino)cycloheptane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(N)(=O)=O)CCCCCC1
InChIInChI=1S/C8H18N4O2S/c9-7(10)8(12-15(11,13)14)5-3-1-2-4-6-8/h12H,1-6H2,(H3,9,10)(H2,11,13,14)
InChIKeyJKRYHUZFTDSRAS-UHFFFAOYSA-N
XLogP-0.19
TPSA122.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.19
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-(Methanesulfonamido)cycloheptane-1-carboximidamide
CID 64405919
1-(Tert-butylsulfonylamino)cycloheptane-1-carboximidamide
CID 64406542
1-(Diethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 64407592
1-(Dimethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 64408628
1-Aminocycloheptane-1-carboximidamide
CID 79500005
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
N'-hydroxy-1-(sulfamoylamino)cycloheptane-1-carboximidamide
CID 104985761
1-(dimethylsulfamoylamino)-N'-hydroxycycloheptane-1-carboximidamide
CID 112495843

Frequently Asked Questions

What is the IUPAC name of 1-(sulfamoylamino)cycloheptane-1-carboximidamide?
The IUPAC name of 1-(sulfamoylamino)cycloheptane-1-carboximidamide (CID 114959695) is 1-(sulfamoylamino)cycloheptane-1-carboximidamide.
What is the SMILES notation for 1-(sulfamoylamino)cycloheptane-1-carboximidamide?
The canonical SMILES for 1-(sulfamoylamino)cycloheptane-1-carboximidamide is [H]/N=C(\N)C1(NS(N)(=O)=O)CCCCCC1.
What is the InChIKey of 1-(sulfamoylamino)cycloheptane-1-carboximidamide?
The InChIKey is JKRYHUZFTDSRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S/c9-7(10)8(12-15(11,13)14)5-3-1-2-4-6-8/h12H,1-6H2,(H3,9,10)(H2,11,13,14).
What are the key properties of 1-(sulfamoylamino)cycloheptane-1-carboximidamide?
1-(sulfamoylamino)cycloheptane-1-carboximidamide has a molecular weight of 234.32 g/mol, XLogP of -0.19, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfamoylamino)cycloheptane-1-carboximidamide is sourced from PubChem (CID 114959695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).