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

C9H19N3S — CID 60913509

IUPAC3-[methyl(thiolan-3-yl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)C1CCSC1
InChIInChI=1S/C9H19N3S/c1-7(5-9(10)11)12(2)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeySJZOPGZFDMRDSA-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.14
Rot. Bonds4

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

3-[methyl(thiolan-3-yl)amino]butanimidamide (PubChem CID 60913509) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 3-[methyl(thiolan-3-yl)amino]butanimidamide.

Molecular Properties

Compound Name3-[methyl(thiolan-3-yl)amino]butanimidamide
PubChem CID60913509
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name3-[methyl(thiolan-3-yl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)C1CCSC1
InChIInChI=1S/C9H19N3S/c1-7(5-9(10)11)12(2)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeySJZOPGZFDMRDSA-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
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]butanimidamide?
The IUPAC name of 3-[methyl(thiolan-3-yl)amino]butanimidamide (CID 60913509) is 3-[methyl(thiolan-3-yl)amino]butanimidamide.
What is the SMILES notation for 3-[methyl(thiolan-3-yl)amino]butanimidamide?
The canonical SMILES for 3-[methyl(thiolan-3-yl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(C)C1CCSC1.
What is the InChIKey of 3-[methyl(thiolan-3-yl)amino]butanimidamide?
The InChIKey is SJZOPGZFDMRDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-7(5-9(10)11)12(2)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 3-[methyl(thiolan-3-yl)amino]butanimidamide?
3-[methyl(thiolan-3-yl)amino]butanimidamide has a molecular weight of 201.34 g/mol, XLogP of 1.14, 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]butanimidamide is sourced from PubChem (CID 60913509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).