3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide

C10H22N4O3S — CID 54988569

IUPAC3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)/C(N)=N/O)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H22N4O3S/c1-3-13(8-9(2)10(11)12-15)18(16,17)14-6-4-5-7-14/h9,15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyDYUSDMHSGXNENZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.03
Rot. Bonds6

About 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 54988569) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID54988569
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)/C(N)=N/O)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H22N4O3S/c1-3-13(8-9(2)10(11)12-15)18(16,17)14-6-4-5-7-14/h9,15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyDYUSDMHSGXNENZ-UHFFFAOYSA-N
XLogP0.03
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.03
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 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 54988569) is 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)/C(N)=N/O)S(=O)(=O)N1CCCC1.
What is the InChIKey of 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is DYUSDMHSGXNENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-3-13(8-9(2)10(11)12-15)18(16,17)14-6-4-5-7-14/h9,15H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 278.38 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 54988569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).