2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide

C9H19N3S — CID 43296744

IUPAC2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)C1CCSC1
InChIInChI=1S/C9H19N3S/c1-7(9(10)11)5-12(2)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyZFDRSOFUTXIBPZ-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.00
Rot. Bonds4

About 2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide

2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide (PubChem CID 43296744) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide
PubChem CID43296744
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)C1CCSC1
InChIInChI=1S/C9H19N3S/c1-7(9(10)11)5-12(2)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyZFDRSOFUTXIBPZ-UHFFFAOYSA-N
XLogP1.00
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
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 2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide?
The IUPAC name of 2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide (CID 43296744) is 2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide.
What is the SMILES notation for 2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide?
The canonical SMILES for 2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide is [H]/N=C(\N)C(C)CN(C)C1CCSC1.
What is the InChIKey of 2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide?
The InChIKey is ZFDRSOFUTXIBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-7(9(10)11)5-12(2)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide?
2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide has a molecular weight of 201.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(thiolan-3-yl)amino]propanimidamide is sourced from PubChem (CID 43296744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).