1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide

C13H28N4O3S — CID 104978301

IUPAC1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
SMILESCC(C)(C)NS(=O)(=O)NC1(C(N)=NO)CCCCCCC1
InChIInChI=1S/C13H28N4O3S/c1-12(2,3)16-21(19,20)17-13(11(14)15-18)9-7-5-4-6-8-10-13/h16-18H,4-10H2,1-3H3,(H2,14,15)
InChIKeyFQFMIUXCOSWZSQ-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.44
Rot. Bonds4

About 1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide

1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide (PubChem CID 104978301) has the molecular formula C13H28N4O3S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide.

Molecular Properties

Compound Name1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
PubChem CID104978301
Molecular FormulaC13H28N4O3S
Molecular Weight320.46 g/mol
Exact Mass320.19
IUPAC Name1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
SMILESCC(C)(C)NS(=O)(=O)NC1(C(N)=NO)CCCCCCC1
InChIInChI=1S/C13H28N4O3S/c1-12(2,3)16-21(19,20)17-13(11(14)15-18)9-7-5-4-6-8-10-13/h16-18H,4-10H2,1-3H3,(H2,14,15)
InChIKeyFQFMIUXCOSWZSQ-UHFFFAOYSA-N
XLogP1.44
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.44
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

1-(Dimethylsulfamoylamino)cyclooctane-1-carboximidamide
CID 64406949
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carboximidamide
CID 76904457
1-(tert-butylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 77017211
CID 77052226
CID 77052226
1-(cyclopropylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 104978299
N'-hydroxy-1-(methylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978300
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
1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978314
N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978318
1-(tert-butylsulfamoylamino)-N'-hydroxycyclohexane-1-carboximidamide
CID 104978319

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide?
The IUPAC name of 1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide (CID 104978301) is 1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide.
What is the SMILES notation for 1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide?
The canonical SMILES for 1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide is CC(C)(C)NS(=O)(=O)NC1(C(N)=NO)CCCCCCC1.
What is the InChIKey of 1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide?
The InChIKey is FQFMIUXCOSWZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O3S/c1-12(2,3)16-21(19,20)17-13(11(14)15-18)9-7-5-4-6-8-10-13/h16-18H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of 1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide?
1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide has a molecular weight of 320.46 g/mol, XLogP of 1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfamoylamino)-N'-hydroxycyclooctane-1-carboximidamide is sourced from PubChem (CID 104978301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).