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

C8H17N3S — CID 43296748

IUPAC3-[methyl(thiolan-3-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)C1CCSC1
InChIInChI=1S/C8H17N3S/c1-11(4-2-8(9)10)7-3-5-12-6-7/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyMZAMDVRJYPJKKV-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.75
Rot. Bonds4

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

3-[methyl(thiolan-3-yl)amino]propanimidamide (PubChem CID 43296748) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 3-[methyl(thiolan-3-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[methyl(thiolan-3-yl)amino]propanimidamide
PubChem CID43296748
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name3-[methyl(thiolan-3-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)C1CCSC1
InChIInChI=1S/C8H17N3S/c1-11(4-2-8(9)10)7-3-5-12-6-7/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyMZAMDVRJYPJKKV-UHFFFAOYSA-N
XLogP0.75
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.75
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 3-[methyl(thiolan-3-yl)amino]propanimidamide?
The IUPAC name of 3-[methyl(thiolan-3-yl)amino]propanimidamide (CID 43296748) is 3-[methyl(thiolan-3-yl)amino]propanimidamide.
What is the SMILES notation for 3-[methyl(thiolan-3-yl)amino]propanimidamide?
The canonical SMILES for 3-[methyl(thiolan-3-yl)amino]propanimidamide is [H]/N=C(\N)CCN(C)C1CCSC1.
What is the InChIKey of 3-[methyl(thiolan-3-yl)amino]propanimidamide?
The InChIKey is MZAMDVRJYPJKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-11(4-2-8(9)10)7-3-5-12-6-7/h7H,2-6H2,1H3,(H3,9,10).
What are the key properties of 3-[methyl(thiolan-3-yl)amino]propanimidamide?
3-[methyl(thiolan-3-yl)amino]propanimidamide has a molecular weight of 187.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(thiolan-3-yl)amino]propanimidamide is sourced from PubChem (CID 43296748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).