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

C7H16N4S — CID 104881985

IUPAC3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine
SMILESC/N=C(\NN)N(C)C1CCSC1
InChIInChI=1S/C7H16N4S/c1-9-7(10-8)11(2)6-3-4-12-5-6/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyZDXNPBPITNWQKG-UHFFFAOYSA-N
MW188.30 g/mol
LogP-0.13
Rot. Bonds1

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

3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine (PubChem CID 104881985) has the molecular formula C7H16N4S and a molecular weight of 188.30 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine
PubChem CID104881985
Molecular FormulaC7H16N4S
Molecular Weight188.30 g/mol
Exact Mass188.11
IUPAC Name3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine
SMILESC/N=C(\NN)N(C)C1CCSC1
InChIInChI=1S/C7H16N4S/c1-9-7(10-8)11(2)6-3-4-12-5-6/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyZDXNPBPITNWQKG-UHFFFAOYSA-N
XLogP-0.13
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine (CID 104881985) is 3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine is C/N=C(\NN)N(C)C1CCSC1.
What is the InChIKey of 3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine?
The InChIKey is ZDXNPBPITNWQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4S/c1-9-7(10-8)11(2)6-3-4-12-5-6/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of 3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine?
3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine has a molecular weight of 188.30 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine is sourced from PubChem (CID 104881985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).