2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide

C11H23N3O3S — CID 77045120

IUPAC2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC(C)(C)CS(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C11H23N3O3S/c1-11(2,3)7-18(16,17)14-9-6-4-5-8(9)10(12)13-15/h8-9,14-15H,4-7H2,1-3H3,(H2,12,13)
InChIKeyDRUJUTYWMCLSGZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.87
Rot. Bonds4

About 2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide

2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 77045120) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID77045120
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC(C)(C)CS(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C11H23N3O3S/c1-11(2,3)7-18(16,17)14-9-6-4-5-8(9)10(12)13-15/h8-9,14-15H,4-7H2,1-3H3,(H2,12,13)
InChIKeyDRUJUTYWMCLSGZ-UHFFFAOYSA-N
XLogP0.87
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.87
H-Bond Donors ≤ 53
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-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
CID 83060146
N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide
CID 178180668
3-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
CID 55033284
2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 55151780
2-(butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 55151969
2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide
CID 61454516
2-(Propan-2-ylsulfonylamino)cyclopentane-1-carboximidamide
CID 64405823
2-(Tert-butylsulfonylamino)cyclopentane-1-carboximidamide
CID 64407913
2-(Propylsulfonylamino)cyclopentane-1-carboximidamide
CID 64407915
2-(Butylsulfonylamino)cyclopentane-1-carboximidamide
CID 64407916
2-(Cyclohexylmethylsulfonylamino)cyclopentane-1-carboximidamide
CID 64407918
2-(3-Methylbutylsulfonylamino)cyclopentane-1-carboximidamide
CID 64408127

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (CID 77045120) is 2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is CC(C)(C)CS(=O)(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of 2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is DRUJUTYWMCLSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-11(2,3)7-18(16,17)14-9-6-4-5-8(9)10(12)13-15/h8-9,14-15H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 277.39 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 77045120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).