1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine

C9H21N3S — CID 111800740

IUPAC1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine
SMILESCSCCCN=C(N(C)C)N(C)C
InChIInChI=1S/C9H21N3S/c1-11(2)9(12(3)4)10-7-6-8-13-5/h6-8H2,1-5H3
InChIKeyZQCDFMARPKDSIS-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.22
Rot. Bonds4

About 1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine

1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine (PubChem CID 111800740) has the molecular formula C9H21N3S and a molecular weight of 203.35 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine
PubChem CID111800740
Molecular FormulaC9H21N3S
Molecular Weight203.35 g/mol
Exact Mass203.15
IUPAC Name1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine
SMILESCSCCCN=C(N(C)C)N(C)C
InChIInChI=1S/C9H21N3S/c1-11(2)9(12(3)4)10-7-6-8-13-5/h6-8H2,1-5H3
InChIKeyZQCDFMARPKDSIS-UHFFFAOYSA-N
XLogP1.22
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine (CID 111800740) is 1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine is CSCCCN=C(N(C)C)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine?
The InChIKey is ZQCDFMARPKDSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3S/c1-11(2)9(12(3)4)10-7-6-8-13-5/h6-8H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine?
1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine has a molecular weight of 203.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(3-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 111800740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).