N'-(2-thiomorpholin-4-ylethyl)butanimidamide

C10H21N3S — CID 106327281

IUPACN'-(2-thiomorpholin-4-ylethyl)butanimidamide
SMILESCCC/C(N)=N\CCN1CCSCC1
InChIInChI=1S/C10H21N3S/c1-2-3-10(11)12-4-5-13-6-8-14-9-7-13/h2-9H2,1H3,(H2,11,12)
InChIKeyUAKZRCZTPKSRRH-UHFFFAOYSA-N
MW215.37 g/mol
LogP1.19
Rot. Bonds5

About N'-(2-thiomorpholin-4-ylethyl)butanimidamide

N'-(2-thiomorpholin-4-ylethyl)butanimidamide (PubChem CID 106327281) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is N'-(2-thiomorpholin-4-ylethyl)butanimidamide.

Molecular Properties

Compound NameN'-(2-thiomorpholin-4-ylethyl)butanimidamide
PubChem CID106327281
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC NameN'-(2-thiomorpholin-4-ylethyl)butanimidamide
SMILESCCC/C(N)=N\CCN1CCSCC1
InChIInChI=1S/C10H21N3S/c1-2-3-10(11)12-4-5-13-6-8-14-9-7-13/h2-9H2,1H3,(H2,11,12)
InChIKeyUAKZRCZTPKSRRH-UHFFFAOYSA-N
XLogP1.19
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-thiomorpholin-4-ylethyl)butanimidamide?
The IUPAC name of N'-(2-thiomorpholin-4-ylethyl)butanimidamide (CID 106327281) is N'-(2-thiomorpholin-4-ylethyl)butanimidamide.
What is the SMILES notation for N'-(2-thiomorpholin-4-ylethyl)butanimidamide?
The canonical SMILES for N'-(2-thiomorpholin-4-ylethyl)butanimidamide is CCC/C(N)=N\CCN1CCSCC1.
What is the InChIKey of N'-(2-thiomorpholin-4-ylethyl)butanimidamide?
The InChIKey is UAKZRCZTPKSRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-2-3-10(11)12-4-5-13-6-8-14-9-7-13/h2-9H2,1H3,(H2,11,12).
What are the key properties of N'-(2-thiomorpholin-4-ylethyl)butanimidamide?
N'-(2-thiomorpholin-4-ylethyl)butanimidamide has a molecular weight of 215.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-thiomorpholin-4-ylethyl)butanimidamide is sourced from PubChem (CID 106327281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).