2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine

C20H32N4S — CID 111530591

IUPAC2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
SMILESC/N=C(\NCC(c1ccccc1)N1CCCC1)NC1CCC(SC)C1
InChIInChI=1S/C20H32N4S/c1-21-20(23-17-10-11-18(14-17)25-2)22-15-19(24-12-6-7-13-24)16-8-4-3-5-9-16/h3-5,8-9,17-19H,6-7,10-15H2,1-2H3,(H2,21,22,23)
InChIKeyONGXXPHMMFGTDU-UHFFFAOYSA-N
MW360.57 g/mol
LogP3.27
Rot. Bonds6

About 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine

2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine (PubChem CID 111530591) has the molecular formula C20H32N4S and a molecular weight of 360.57 g/mol. Its IUPAC name is 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
PubChem CID111530591
Molecular FormulaC20H32N4S
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
SMILESC/N=C(\NCC(c1ccccc1)N1CCCC1)NC1CCC(SC)C1
InChIInChI=1S/C20H32N4S/c1-21-20(23-17-10-11-18(14-17)25-2)22-15-19(24-12-6-7-13-24)16-8-4-3-5-9-16/h3-5,8-9,17-19H,6-7,10-15H2,1-2H3,(H2,21,22,23)
InChIKeyONGXXPHMMFGTDU-UHFFFAOYSA-N
XLogP3.27
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 53.27
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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Related Compounds

2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111530274
2-methyl-1-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111529215
1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 110990423
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111528107
2-methyl-1-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317760
2-methyl-1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-prop-2-enylguanidine;hydroiodide
CID 110981972
1-(1-benzylpiperidin-4-yl)-3-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 110986688
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111528877
2-methyl-1-(2-morpholin-4-yl-2-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909967
1-(1-benzyl-2-methylpiperidin-4-yl)-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 109457741
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methyl-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111529365
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111527920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine (CID 111530591) is 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine is C/N=C(\NCC(c1ccccc1)N1CCCC1)NC1CCC(SC)C1.
What is the InChIKey of 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The InChIKey is ONGXXPHMMFGTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4S/c1-21-20(23-17-10-11-18(14-17)25-2)22-15-19(24-12-6-7-13-24)16-8-4-3-5-9-16/h3-5,8-9,17-19H,6-7,10-15H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine has a molecular weight of 360.57 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine is sourced from PubChem (CID 111530591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).