N'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide

C10H21N3OS — CID 43296698

IUPACN'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)C1CCSC1
InChIInChI=1S/C10H21N3OS/c1-3-8(6-10(11)12-14)13(2)9-4-5-15-7-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyWYJZABWJKOCCOW-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.34
Rot. Bonds5

About N'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide

N'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide (PubChem CID 43296698) has the molecular formula C10H21N3OS and a molecular weight of 231.36 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide
PubChem CID43296698
Molecular FormulaC10H21N3OS
Molecular Weight231.36 g/mol
Exact Mass231.14
IUPAC NameN'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)C1CCSC1
InChIInChI=1S/C10H21N3OS/c1-3-8(6-10(11)12-14)13(2)9-4-5-15-7-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyWYJZABWJKOCCOW-UHFFFAOYSA-N
XLogP1.34
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
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-[methyl(thiolan-3-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide (CID 43296698) is N'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide is CCC(C/C(N)=N/O)N(C)C1CCSC1.
What is the InChIKey of N'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide?
The InChIKey is WYJZABWJKOCCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OS/c1-3-8(6-10(11)12-14)13(2)9-4-5-15-7-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide?
N'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide has a molecular weight of 231.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(thiolan-3-yl)amino]pentanimidamide is sourced from PubChem (CID 43296698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).