N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide

C7H15N3O3S — CID 178180668

IUPACN'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide
SMILESCS(=O)(=O)NC1CCC(C(N)=NO)C1
InChIInChI=1S/C7H15N3O3S/c1-14(12,13)10-6-3-2-5(4-6)7(8)9-11/h5-6,10-11H,2-4H2,1H3,(H2,8,9)
InChIKeyCMSSFXVMCFZHJN-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.55
Rot. Bonds3

About N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide

N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide (PubChem CID 178180668) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide
PubChem CID178180668
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC NameN'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide
SMILESCS(=O)(=O)NC1CCC(C(N)=NO)C1
InChIInChI=1S/C7H15N3O3S/c1-14(12,13)10-6-3-2-5(4-6)7(8)9-11/h5-6,10-11H,2-4H2,1H3,(H2,8,9)
InChIKeyCMSSFXVMCFZHJN-UHFFFAOYSA-N
XLogP-0.55
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.55
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'}

Analyze N'-hydroxy-3-(methanesulfonamido)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

2-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76979002
2-(butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 55151969
2-(Methanesulfonamido)cyclopentane-1-carboximidamide
CID 64408330
2-(butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76210104
N'-hydroxy-2-(propan-2-ylsulfonylamino)cyclopentane-1-carboximidamide
CID 76978330
N'-hydroxy-2-(methanesulfonamido)cyclopentane-1-carboximidamide
CID 76978986
N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide
CID 76978990
2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76978993
N'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide
CID 77008647
2-(tert-butylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 77017170
N'-hydroxy-2-(2-methylpropylsulfonylamino)cyclopentane-1-carboximidamide
CID 77045119
2-(2,2-dimethylpropylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 77045120

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide (CID 178180668) is N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide is CS(=O)(=O)NC1CCC(C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide?
The InChIKey is CMSSFXVMCFZHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S/c1-14(12,13)10-6-3-2-5(4-6)7(8)9-11/h5-6,10-11H,2-4H2,1H3,(H2,8,9).
What are the key properties of N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide?
N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide has a molecular weight of 221.28 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(methanesulfonamido)cyclopentane-1-carboximidamide is sourced from PubChem (CID 178180668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).