2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine

C11H21N3S — CID 111527859

IUPAC2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NC1CCC(SC)C1
InChIInChI=1S/C11H21N3S/c1-4-7-13-11(12-2)14-9-5-6-10(8-9)15-3/h4,9-10H,1,5-8H2,2-3H3,(H2,12,13,14)
InChIKeyOLSVDXRFUAEZPV-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.62
Rot. Bonds4

About 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine

2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine (PubChem CID 111527859) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine
PubChem CID111527859
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NC1CCC(SC)C1
InChIInChI=1S/C11H21N3S/c1-4-7-13-11(12-2)14-9-5-6-10(8-9)15-3/h4,9-10H,1,5-8H2,2-3H3,(H2,12,13,14)
InChIKeyOLSVDXRFUAEZPV-UHFFFAOYSA-N
XLogP1.62
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-[(1S,3S)-3-methylsulfanylcyclopentyl]guanidine
CID 95903131
2-ethyl-1-[(1S,3R)-3-methylsulfanylcyclopentyl]guanidine
CID 95903132
2-Methyl-1-(3-methylsulfanylcyclopentyl)guanidine
CID 103717321
1-(3-Methylsulfanylcyclopentyl)-2-propylguanidine
CID 105877977
1-Ethyl-3-(2-prop-2-enylsulfanylethyl)-2-(thiolan-2-ylmethyl)guanidine
CID 109664191
2-Methyl-1-prop-2-enyl-3-(thiolan-2-ylmethyl)guanidine;hydroiodide
CID 109666574
2-Methyl-1-prop-2-enyl-3-(thiolan-2-ylmethyl)guanidine
CID 109666575
1-Ethyl-3-prop-2-enyl-2-(thiolan-2-ylmethyl)guanidine;hydroiodide
CID 109667174
1-Ethyl-3-prop-2-enyl-2-(thiolan-2-ylmethyl)guanidine
CID 109667175
2-Methyl-1-(2-prop-2-enylsulfanylethyl)-3-(thiolan-2-ylmethyl)guanidine;hydroiodide
CID 109667644
2-Methyl-1-(2-prop-2-enylsulfanylethyl)-3-(thiolan-2-ylmethyl)guanidine
CID 109667645
2-Methyl-1-[(2-methylthiolan-2-yl)methyl]-3-prop-2-enylguanidine
CID 109739655

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine?
The IUPAC name of 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine (CID 111527859) is 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine.
What is the SMILES notation for 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine?
The canonical SMILES for 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine is C=CCN/C(=N\C)NC1CCC(SC)C1.
What is the InChIKey of 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine?
The InChIKey is OLSVDXRFUAEZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-7-13-11(12-2)14-9-5-6-10(8-9)15-3/h4,9-10H,1,5-8H2,2-3H3,(H2,12,13,14).
What are the key properties of 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine?
2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine has a molecular weight of 227.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-prop-2-enylguanidine is sourced from PubChem (CID 111527859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).