1-(methylsulfamoylamino)cycloheptane-1-carboximidamide

C9H20N4O2S — CID 114813329

IUPAC1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC)CCCCCC1
InChIInChI=1S/C9H20N4O2S/c1-12-16(14,15)13-9(8(10)11)6-4-2-3-5-7-9/h12-13H,2-7H2,1H3,(H3,10,11)
InChIKeyXOBLDLUIAXPECX-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.07
Rot. Bonds4

About 1-(methylsulfamoylamino)cycloheptane-1-carboximidamide

1-(methylsulfamoylamino)cycloheptane-1-carboximidamide (PubChem CID 114813329) has the molecular formula C9H20N4O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(methylsulfamoylamino)cycloheptane-1-carboximidamide.

Molecular Properties

Compound Name1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
PubChem CID114813329
Molecular FormulaC9H20N4O2S
Molecular Weight248.35 g/mol
Exact Mass248.13
IUPAC Name1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC)CCCCCC1
InChIInChI=1S/C9H20N4O2S/c1-12-16(14,15)13-9(8(10)11)6-4-2-3-5-7-9/h12-13H,2-7H2,1H3,(H3,10,11)
InChIKeyXOBLDLUIAXPECX-UHFFFAOYSA-N
XLogP0.07
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.07
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-(Dimethylsulfamoylamino)cyclooctane-1-carboximidamide
CID 64406949
1-(Diethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 64407592
1-(Dimethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 64408628
N'-hydroxy-1-(methylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978300
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-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978340

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfamoylamino)cycloheptane-1-carboximidamide?
The IUPAC name of 1-(methylsulfamoylamino)cycloheptane-1-carboximidamide (CID 114813329) is 1-(methylsulfamoylamino)cycloheptane-1-carboximidamide.
What is the SMILES notation for 1-(methylsulfamoylamino)cycloheptane-1-carboximidamide?
The canonical SMILES for 1-(methylsulfamoylamino)cycloheptane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NC)CCCCCC1.
What is the InChIKey of 1-(methylsulfamoylamino)cycloheptane-1-carboximidamide?
The InChIKey is XOBLDLUIAXPECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2S/c1-12-16(14,15)13-9(8(10)11)6-4-2-3-5-7-9/h12-13H,2-7H2,1H3,(H3,10,11).
What are the key properties of 1-(methylsulfamoylamino)cycloheptane-1-carboximidamide?
1-(methylsulfamoylamino)cycloheptane-1-carboximidamide has a molecular weight of 248.35 g/mol, XLogP of 0.07, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoylamino)cycloheptane-1-carboximidamide is sourced from PubChem (CID 114813329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).