1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide

C13H28N4O2S — CID 114813301

IUPAC1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC(C)(C)C)CCCCCCC1
InChIInChI=1S/C13H28N4O2S/c1-12(2,3)16-20(18,19)17-13(11(14)15)9-7-5-4-6-8-10-13/h16-17H,4-10H2,1-3H3,(H3,14,15)
InChIKeyIYCRSIPJKNLBIY-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.63
Rot. Bonds4

About 1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide

1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide (PubChem CID 114813301) has the molecular formula C13H28N4O2S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide.

Molecular Properties

Compound Name1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide
PubChem CID114813301
Molecular FormulaC13H28N4O2S
Molecular Weight304.46 g/mol
Exact Mass304.19
IUPAC Name1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC(C)(C)C)CCCCCCC1
InChIInChI=1S/C13H28N4O2S/c1-12(2,3)16-20(18,19)17-13(11(14)15)9-7-5-4-6-8-10-13/h16-17H,4-10H2,1-3H3,(H3,14,15)
InChIKeyIYCRSIPJKNLBIY-UHFFFAOYSA-N
XLogP1.63
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.63
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'}

Analyze 1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2,2-Trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide
CID 114813300
1-(Tert-butylsulfonylamino)cyclooctane-1-carboximidamide
CID 64405691
1-(Propylsulfonylamino)cyclooctane-1-carboximidamide
CID 64405693
1-(Butylsulfonylamino)cyclooctane-1-carboximidamide
CID 64405902
1-(Propan-2-ylsulfonylamino)cyclooctane-1-carboximidamide
CID 64406113
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-(Ethylsulfonylamino)cyclooctane-1-carboximidamide
CID 64407367
1-(Dimethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 64408628
N'-hydroxy-1-(methylsulfamoylamino)cyclooctane-1-carboximidamide
CID 104978300

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide?
The IUPAC name of 1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide (CID 114813301) is 1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide.
What is the SMILES notation for 1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide?
The canonical SMILES for 1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NC(C)(C)C)CCCCCCC1.
What is the InChIKey of 1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide?
The InChIKey is IYCRSIPJKNLBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2S/c1-12(2,3)16-20(18,19)17-13(11(14)15)9-7-5-4-6-8-10-13/h16-17H,4-10H2,1-3H3,(H3,14,15).
What are the key properties of 1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide?
1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide has a molecular weight of 304.46 g/mol, XLogP of 1.63, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfamoylamino)cyclooctane-1-carboximidamide is sourced from PubChem (CID 114813301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).