2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide

C8H17N3O3S — CID 76978993

IUPAC2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCCS(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C8H17N3O3S/c1-2-15(13,14)11-7-5-3-4-6(7)8(9)10-12/h6-7,11-12H,2-5H2,1H3,(H2,9,10)
InChIKeyLEURRZGCSRTFSY-UHFFFAOYSA-N
MW235.31 g/mol
LogP-0.16
Rot. Bonds4

About 2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide

2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 76978993) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID76978993
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCCS(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C8H17N3O3S/c1-2-15(13,14)11-7-5-3-4-6(7)8(9)10-12/h6-7,11-12H,2-5H2,1H3,(H2,9,10)
InChIKeyLEURRZGCSRTFSY-UHFFFAOYSA-N
XLogP-0.16
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-0.16
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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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (CID 76978993) is 2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is CCS(=O)(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of 2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is LEURRZGCSRTFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-2-15(13,14)11-7-5-3-4-6(7)8(9)10-12/h6-7,11-12H,2-5H2,1H3,(H2,9,10).
What are the key properties of 2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 235.31 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 76978993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).