2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide

C11H22N4O3S — CID 77038258

IUPAC2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide
SMILESCC1CCCN(S(=O)(=O)NC(C(N)=NO)C2CC2)C1
InChIInChI=1S/C11H22N4O3S/c1-8-3-2-6-15(7-8)19(17,18)14-10(9-4-5-9)11(12)13-16/h8-10,14,16H,2-7H2,1H3,(H2,12,13)
InChIKeyBZPXTPQWEVAMNO-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.08
Rot. Bonds5

About 2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide

2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide (PubChem CID 77038258) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide
PubChem CID77038258
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Name2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide
SMILESCC1CCCN(S(=O)(=O)NC(C(N)=NO)C2CC2)C1
InChIInChI=1S/C11H22N4O3S/c1-8-3-2-6-15(7-8)19(17,18)14-10(9-4-5-9)11(12)13-16/h8-10,14,16H,2-7H2,1H3,(H2,12,13)
InChIKeyBZPXTPQWEVAMNO-UHFFFAOYSA-N
XLogP0.08
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.08
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-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide?
The IUPAC name of 2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide (CID 77038258) is 2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide?
The canonical SMILES for 2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide is CC1CCCN(S(=O)(=O)NC(C(N)=NO)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide?
The InChIKey is BZPXTPQWEVAMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-8-3-2-6-15(7-8)19(17,18)14-10(9-4-5-9)11(12)13-16/h8-10,14,16H,2-7H2,1H3,(H2,12,13).
What are the key properties of 2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide?
2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide has a molecular weight of 290.39 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]ethanimidamide is sourced from PubChem (CID 77038258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).