1,2-dimethyl-1-(thiolan-3-yl)guanidine

C7H15N3S — CID 62360255

IUPAC1,2-dimethyl-1-(thiolan-3-yl)guanidine
SMILESC/N=C(\N)N(C)C1CCSC1
InChIInChI=1S/C7H15N3S/c1-9-7(8)10(2)6-3-4-11-5-6/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKeyLIKJAMDRZFPKQJ-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.37
Rot. Bonds1

About 1,2-dimethyl-1-(thiolan-3-yl)guanidine

1,2-dimethyl-1-(thiolan-3-yl)guanidine (PubChem CID 62360255) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is 1,2-dimethyl-1-(thiolan-3-yl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-(thiolan-3-yl)guanidine
PubChem CID62360255
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC Name1,2-dimethyl-1-(thiolan-3-yl)guanidine
SMILESC/N=C(\N)N(C)C1CCSC1
InChIInChI=1S/C7H15N3S/c1-9-7(8)10(2)6-3-4-11-5-6/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKeyLIKJAMDRZFPKQJ-UHFFFAOYSA-N
XLogP0.37
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,2-dimethyl-1-(thiolan-3-yl)guanidine?
The IUPAC name of 1,2-dimethyl-1-(thiolan-3-yl)guanidine (CID 62360255) is 1,2-dimethyl-1-(thiolan-3-yl)guanidine.
What is the SMILES notation for 1,2-dimethyl-1-(thiolan-3-yl)guanidine?
The canonical SMILES for 1,2-dimethyl-1-(thiolan-3-yl)guanidine is C/N=C(\N)N(C)C1CCSC1.
What is the InChIKey of 1,2-dimethyl-1-(thiolan-3-yl)guanidine?
The InChIKey is LIKJAMDRZFPKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c1-9-7(8)10(2)6-3-4-11-5-6/h6H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of 1,2-dimethyl-1-(thiolan-3-yl)guanidine?
1,2-dimethyl-1-(thiolan-3-yl)guanidine has a molecular weight of 173.28 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-(thiolan-3-yl)guanidine is sourced from PubChem (CID 62360255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).