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

C10H21N3O4S — CID 63246768

IUPAC1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCCOCCS(=O)(=O)NC1(/C(N)=N/O)CCCC1
InChIInChI=1S/C10H21N3O4S/c1-2-17-7-8-18(15,16)13-10(9(11)12-14)5-3-4-6-10/h13-14H,2-8H2,1H3,(H2,11,12)
InChIKeyXHPWIKADIMSPGD-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.00
Rot. Bonds7

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

1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 63246768) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID63246768
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Name1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCCOCCS(=O)(=O)NC1(/C(N)=N/O)CCCC1
InChIInChI=1S/C10H21N3O4S/c1-2-17-7-8-18(15,16)13-10(9(11)12-14)5-3-4-6-10/h13-14H,2-8H2,1H3,(H2,11,12)
InChIKeyXHPWIKADIMSPGD-UHFFFAOYSA-N
XLogP0.00
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide (CID 63246768) is 1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is CCOCCS(=O)(=O)NC1(/C(N)=N/O)CCCC1.
What is the InChIKey of 1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is XHPWIKADIMSPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-2-17-7-8-18(15,16)13-10(9(11)12-14)5-3-4-6-10/h13-14H,2-8H2,1H3,(H2,11,12).
What are the key properties of 1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide?
1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 279.36 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 63246768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).