2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide

C10H22N4O2S — CID 114813158

IUPAC2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCCC1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H22N4O2S/c1-10(2,3)14-17(15,16)13-8-6-4-5-7(8)9(11)12/h7-8,13-14H,4-6H2,1-3H3,(H3,11,12)
InChIKeyVZHDQAUTZBQEHB-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.31
Rot. Bonds4

About 2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide

2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide (PubChem CID 114813158) has the molecular formula C10H22N4O2S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide
PubChem CID114813158
Molecular FormulaC10H22N4O2S
Molecular Weight262.38 g/mol
Exact Mass262.15
IUPAC Name2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCCC1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H22N4O2S/c1-10(2,3)14-17(15,16)13-8-6-4-5-7(8)9(11)12/h7-8,13-14H,4-6H2,1-3H3,(H3,11,12)
InChIKeyVZHDQAUTZBQEHB-UHFFFAOYSA-N
XLogP0.31
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.31
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

2-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 113637732
2-(Diethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 64405825
2-[(4-Methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide
CID 64406662
2-(Dimethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 64406873
2-(Tert-butylsulfonylamino)cyclopentane-1-carboximidamide
CID 64407913
2-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 64407919
2-[(3-Methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide
CID 64408122
2-[(2-Methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide
CID 64408123
2-(Methanesulfonamido)cyclopentane-1-carboximidamide
CID 64408330
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 64408750
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 76978333
2-(dimethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76978347

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide?
The IUPAC name of 2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide (CID 114813158) is 2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for 2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide is [H]/N=C(\N)C1CCCC1NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide?
The InChIKey is VZHDQAUTZBQEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S/c1-10(2,3)14-17(15,16)13-8-6-4-5-7(8)9(11)12/h7-8,13-14H,4-6H2,1-3H3,(H3,11,12).
What are the key properties of 2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide?
2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide has a molecular weight of 262.38 g/mol, XLogP of 0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 114813158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).