N'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide

C10H20N4OS — CID 129491117

IUPACN'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN([C@@H]2CCSC2)CC1)=NO
InChIInChI=1S/C10H20N4OS/c11-10(12-15)7-13-2-4-14(5-3-13)9-1-6-16-8-9/h9,15H,1-8H2,(H2,11,12)/t9-/m1/s1
InChIKeyVEBZRFUEOCMWLS-SECBINFHSA-N
MW244.36 g/mol
LogP-0.14
Rot. Bonds3

About N'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide

N'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide (PubChem CID 129491117) has the molecular formula C10H20N4OS and a molecular weight of 244.36 g/mol. Its IUPAC name is N'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide
PubChem CID129491117
Molecular FormulaC10H20N4OS
Molecular Weight244.36 g/mol
Exact Mass244.14
IUPAC NameN'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN([C@@H]2CCSC2)CC1)=NO
InChIInChI=1S/C10H20N4OS/c11-10(12-15)7-13-2-4-14(5-3-13)9-1-6-16-8-9/h9,15H,1-8H2,(H2,11,12)/t9-/m1/s1
InChIKeyVEBZRFUEOCMWLS-SECBINFHSA-N
XLogP-0.14
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
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-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide (CID 129491117) is N'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide is NC(CN1CCN([C@@H]2CCSC2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide?
The InChIKey is VEBZRFUEOCMWLS-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N4OS/c11-10(12-15)7-13-2-4-14(5-3-13)9-1-6-16-8-9/h9,15H,1-8H2,(H2,11,12)/t9-/m1/s1.
What are the key properties of N'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide has a molecular weight of 244.36 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 129491117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).