N'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide

C11H24N4O3S — CID 104978340

IUPACN'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide
SMILESCC(C)NS(=O)(=O)NC1(C(N)=NO)CCCCCC1
InChIInChI=1S/C11H24N4O3S/c1-9(2)14-19(17,18)15-11(10(12)13-16)7-5-3-4-6-8-11/h9,14-16H,3-8H2,1-2H3,(H2,12,13)
InChIKeyBMZKJPVTSDUZLN-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.66
Rot. Bonds5

About N'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide

N'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide (PubChem CID 104978340) has the molecular formula C11H24N4O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is N'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide
PubChem CID104978340
Molecular FormulaC11H24N4O3S
Molecular Weight292.40 g/mol
Exact Mass292.16
IUPAC NameN'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide
SMILESCC(C)NS(=O)(=O)NC1(C(N)=NO)CCCCCC1
InChIInChI=1S/C11H24N4O3S/c1-9(2)14-19(17,18)15-11(10(12)13-16)7-5-3-4-6-8-11/h9,14-16H,3-8H2,1-2H3,(H2,12,13)
InChIKeyBMZKJPVTSDUZLN-UHFFFAOYSA-N
XLogP0.66
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978339
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboximidamide
CID 64405917
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide
CID 76904457
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane-1-carboximidamide
CID 76904460
2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
CID 104978256
2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 104978257
2-cyclohexyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide
CID 104978258
2-cyclohexyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978260
2-cyclohexyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
CID 104978261
2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978286
1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 104978299
N'-hydroxy-1-(methylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978300

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide (CID 104978340) is N'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide is CC(C)NS(=O)(=O)NC1(C(N)=NO)CCCCCC1.
What is the InChIKey of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide?
The InChIKey is BMZKJPVTSDUZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-9(2)14-19(17,18)15-11(10(12)13-16)7-5-3-4-6-8-11/h9,14-16H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide?
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide has a molecular weight of 292.40 g/mol, XLogP of 0.66, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide is sourced from PubChem (CID 104978340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).