2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide

C9H19N3O3S — CID 105361603

IUPAC2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)S(=O)(=O)C1CCCC1
InChIInChI=1S/C9H19N3O3S/c1-2-12(7-9(10)11-13)16(14,15)8-5-3-4-6-8/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyAPZUQZKPSUUPDX-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.33
Rot. Bonds5

About 2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide

2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 105361603) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
PubChem CID105361603
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)S(=O)(=O)C1CCCC1
InChIInChI=1S/C9H19N3O3S/c1-2-12(7-9(10)11-13)16(14,15)8-5-3-4-6-8/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyAPZUQZKPSUUPDX-UHFFFAOYSA-N
XLogP0.33
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
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-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide (CID 105361603) is 2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is APZUQZKPSUUPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-2-12(7-9(10)11-13)16(14,15)8-5-3-4-6-8/h8,13H,2-7H2,1H3,(H2,10,11).
What are the key properties of 2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide?
2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 249.34 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 105361603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).