N'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide

C10H22N4O3S — CID 55247300

IUPACN'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide
SMILESCC(C)S(=O)(=O)NC1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C10H22N4O3S/c1-8(2)18(16,17)13-9-3-5-14(6-4-9)7-10(11)12-15/h8-9,13,15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyRJBMKEHGGPMMID-UHFFFAOYSA-N
MW278.38 g/mol
LogP-0.47
Rot. Bonds5

About N'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide

N'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide (PubChem CID 55247300) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide
PubChem CID55247300
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC NameN'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide
SMILESCC(C)S(=O)(=O)NC1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C10H22N4O3S/c1-8(2)18(16,17)13-9-3-5-14(6-4-9)7-10(11)12-15/h8-9,13,15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyRJBMKEHGGPMMID-UHFFFAOYSA-N
XLogP-0.47
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-0.47
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-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide (CID 55247300) is N'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide is CC(C)S(=O)(=O)NC1CCN(C/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide?
The InChIKey is RJBMKEHGGPMMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-8(2)18(16,17)13-9-3-5-14(6-4-9)7-10(11)12-15/h8-9,13,15H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide has a molecular weight of 278.38 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]ethanimidamide is sourced from PubChem (CID 55247300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).