N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide

C8H17N3OS — CID 103063282

IUPACN'-hydroxy-3-(thiolan-3-ylamino)butanimidamide
SMILESCC(CC(N)=NO)NC1CCSC1
InChIInChI=1S/C8H17N3OS/c1-6(4-8(9)11-12)10-7-2-3-13-5-7/h6-7,10,12H,2-5H2,1H3,(H2,9,11)
InChIKeyHCATWXVVFISVMD-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.61
Rot. Bonds4

About N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide

N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide (PubChem CID 103063282) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(thiolan-3-ylamino)butanimidamide
PubChem CID103063282
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC NameN'-hydroxy-3-(thiolan-3-ylamino)butanimidamide
SMILESCC(CC(N)=NO)NC1CCSC1
InChIInChI=1S/C8H17N3OS/c1-6(4-8(9)11-12)10-7-2-3-13-5-7/h6-7,10,12H,2-5H2,1H3,(H2,9,11)
InChIKeyHCATWXVVFISVMD-UHFFFAOYSA-N
XLogP0.61
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.61
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 N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide (CID 103063282) is N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide is CC(CC(N)=NO)NC1CCSC1.
What is the InChIKey of N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide?
The InChIKey is HCATWXVVFISVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-6(4-8(9)11-12)10-7-2-3-13-5-7/h6-7,10,12H,2-5H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide?
N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide has a molecular weight of 203.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide is sourced from PubChem (CID 103063282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).