1-(methylsulfamoylamino)cyclooctane-1-carboximidamide

C10H22N4O2S — CID 114813299

IUPAC1-(methylsulfamoylamino)cyclooctane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC)CCCCCCC1
InChIInChI=1S/C10H22N4O2S/c1-13-17(15,16)14-10(9(11)12)7-5-3-2-4-6-8-10/h13-14H,2-8H2,1H3,(H3,11,12)
InChIKeyPTOFOZLHHAILQO-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.46
Rot. Bonds4

About 1-(methylsulfamoylamino)cyclooctane-1-carboximidamide

1-(methylsulfamoylamino)cyclooctane-1-carboximidamide (PubChem CID 114813299) has the molecular formula C10H22N4O2S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(methylsulfamoylamino)cyclooctane-1-carboximidamide.

Molecular Properties

Compound Name1-(methylsulfamoylamino)cyclooctane-1-carboximidamide
PubChem CID114813299
Molecular FormulaC10H22N4O2S
Molecular Weight262.38 g/mol
Exact Mass262.15
IUPAC Name1-(methylsulfamoylamino)cyclooctane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC)CCCCCCC1
InChIInChI=1S/C10H22N4O2S/c1-13-17(15,16)14-10(9(11)12)7-5-3-2-4-6-8-10/h13-14H,2-8H2,1H3,(H3,11,12)
InChIKeyPTOFOZLHHAILQO-UHFFFAOYSA-N
XLogP0.46
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.46
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)cyclooctane-1-carboximidamide
CID 114813300
1-(Tert-butylsulfonylamino)cyclooctane-1-carboximidamide
CID 64405691
1-(Diethylsulfamoylamino)cyclooctane-1-carboximidamide
CID 64406318
1-(Dimethylsulfamoylamino)cyclooctane-1-carboximidamide
CID 64406949
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide
CID 64407160
1-(Methanesulfonamido)cyclooctane-1-carboximidamide
CID 64407366
1-(Dimethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 64408628
N'-hydroxy-1-(methylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978300
1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 104978301
N'-hydroxy-1-(propylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978302
1-(ethylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 104978303
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978304

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfamoylamino)cyclooctane-1-carboximidamide?
The IUPAC name of 1-(methylsulfamoylamino)cyclooctane-1-carboximidamide (CID 114813299) is 1-(methylsulfamoylamino)cyclooctane-1-carboximidamide.
What is the SMILES notation for 1-(methylsulfamoylamino)cyclooctane-1-carboximidamide?
The canonical SMILES for 1-(methylsulfamoylamino)cyclooctane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NC)CCCCCCC1.
What is the InChIKey of 1-(methylsulfamoylamino)cyclooctane-1-carboximidamide?
The InChIKey is PTOFOZLHHAILQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S/c1-13-17(15,16)14-10(9(11)12)7-5-3-2-4-6-8-10/h13-14H,2-8H2,1H3,(H3,11,12).
What are the key properties of 1-(methylsulfamoylamino)cyclooctane-1-carboximidamide?
1-(methylsulfamoylamino)cyclooctane-1-carboximidamide has a molecular weight of 262.38 g/mol, XLogP of 0.46, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoylamino)cyclooctane-1-carboximidamide is sourced from PubChem (CID 114813299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).