2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide

C8H18N4O3S — CID 76928932

IUPAC2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N4O3S/c1-2-11(7-8(9)10-13)16(14,15)12-5-3-4-6-12/h13H,2-7H2,1H3,(H2,9,10)
InChIKeyDCWBUPAGZBAYQG-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.60
Rot. Bonds5

About 2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide

2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76928932) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
PubChem CID76928932
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC Name2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N4O3S/c1-2-11(7-8(9)10-13)16(14,15)12-5-3-4-6-12/h13H,2-7H2,1H3,(H2,9,10)
InChIKeyDCWBUPAGZBAYQG-UHFFFAOYSA-N
XLogP-0.60
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.60
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-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide (CID 76928932) is 2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)S(=O)(=O)N1CCCC1.
What is the InChIKey of 2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is DCWBUPAGZBAYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-2-11(7-8(9)10-13)16(14,15)12-5-3-4-6-12/h13H,2-7H2,1H3,(H2,9,10).
What are the key properties of 2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide?
2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 250.32 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76928932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).