N'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide

C10H21N3O3S — CID 77045119

IUPACN'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide
SMILESCC(C)CS(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C10H21N3O3S/c1-7(2)6-17(15,16)13-9-5-3-4-8(9)10(11)12-14/h7-9,13-14H,3-6H2,1-2H3,(H2,11,12)
InChIKeyQDZTUGPYTNXDAB-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.48
Rot. Bonds5

About N'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide

N'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide (PubChem CID 77045119) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide
PubChem CID77045119
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide
SMILESCC(C)CS(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C10H21N3O3S/c1-7(2)6-17(15,16)13-9-5-3-4-8(9)10(11)12-14/h7-9,13-14H,3-6H2,1-2H3,(H2,11,12)
InChIKeyQDZTUGPYTNXDAB-UHFFFAOYSA-N
XLogP0.48
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.48
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

2-(4,4,4-Trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
CID 83058950
N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
CID 83060146
N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide
CID 178180668
2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
CID 54947107
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-(2-Methoxyethylsulfonylamino)cyclopentane-1-carboximidamide
CID 64406034
2-(3-Methoxypropylsulfonylamino)cyclopentane-1-carboximidamide
CID 64406035
2-(Tert-butylsulfonylamino)cyclopentane-1-carboximidamide
CID 64407913

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide (CID 77045119) is N'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide is CC(C)CS(=O)(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide?
The InChIKey is QDZTUGPYTNXDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-7(2)6-17(15,16)13-9-5-3-4-8(9)10(11)12-14/h7-9,13-14H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide?
N'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide has a molecular weight of 263.36 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 77045119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).