N'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide

C8H18N4O3S — CID 77027567

IUPACN'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide
SMILESCS(=O)(=O)N1CCC(NCC(N)=NO)CC1
InChIInChI=1S/C8H18N4O3S/c1-16(14,15)12-4-2-7(3-5-12)10-6-8(9)11-13/h7,10,13H,2-6H2,1H3,(H2,9,11)
InChIKeyMEWYINQCKJIRSQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP-1.25
Rot. Bonds4

About N'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide

N'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide (PubChem CID 77027567) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is N'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide
PubChem CID77027567
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC NameN'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide
SMILESCS(=O)(=O)N1CCC(NCC(N)=NO)CC1
InChIInChI=1S/C8H18N4O3S/c1-16(14,15)12-4-2-7(3-5-12)10-6-8(9)11-13/h7,10,13H,2-6H2,1H3,(H2,9,11)
InChIKeyMEWYINQCKJIRSQ-UHFFFAOYSA-N
XLogP-1.25
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide (CID 77027567) is N'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide is CS(=O)(=O)N1CCC(NCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide?
The InChIKey is MEWYINQCKJIRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-16(14,15)12-4-2-7(3-5-12)10-6-8(9)11-13/h7,10,13H,2-6H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide?
N'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide has a molecular weight of 250.32 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanimidamide is sourced from PubChem (CID 77027567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).