1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide

C9H20N4O2S — CID 114813161

IUPAC1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC(C)C)CCCC1
InChIInChI=1S/C9H20N4O2S/c1-7(2)12-16(14,15)13-9(8(10)11)5-3-4-6-9/h7,12-13H,3-6H2,1-2H3,(H3,10,11)
InChIKeyYJUZCAWKKWRXAZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.07
Rot. Bonds5

About 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide

1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide (PubChem CID 114813161) has the molecular formula C9H20N4O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound Name1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
PubChem CID114813161
Molecular FormulaC9H20N4O2S
Molecular Weight248.35 g/mol
Exact Mass248.13
IUPAC Name1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NC(C)C)CCCC1
InChIInChI=1S/C9H20N4O2S/c1-7(2)12-16(14,15)13-9(8(10)11)5-3-4-6-9/h7,12-13H,3-6H2,1-2H3,(H3,10,11)
InChIKeyYJUZCAWKKWRXAZ-UHFFFAOYSA-N
XLogP0.07
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
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'}

Analyze 1-(propan-2-ylsulfamoylamino)cyclopentane-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)cyclopentane-1-carboximidamide
CID 113637733
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 54947255
1-[(2-Methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide
CID 64405618
1-(Diethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 64406665
2-(Dimethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 64406873
1-(Dimethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 64407710
2-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 64407919
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 64408750
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 64415461
1-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978312
N'-hydroxy-1-(methylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978313
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide?
The IUPAC name of 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide (CID 114813161) is 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NC(C)C)CCCC1.
What is the InChIKey of 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide?
The InChIKey is YJUZCAWKKWRXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2S/c1-7(2)12-16(14,15)13-9(8(10)11)5-3-4-6-9/h7,12-13H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide?
1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide has a molecular weight of 248.35 g/mol, XLogP of 0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 114813161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).