2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine

C11H15N3S — CID 62379412

IUPAC2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine
SMILESCSc1cccc(N/C(N)=N/C2CC2)c1
InChIInChI=1S/C11H15N3S/c1-15-10-4-2-3-9(7-10)14-11(12)13-8-5-6-8/h2-4,7-8H,5-6H2,1H3,(H3,12,13,14)
InChIKeyKAQFLGHWGRSEGA-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.30
Rot. Bonds3

About 2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine

2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine (PubChem CID 62379412) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine
PubChem CID62379412
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine
SMILESCSc1cccc(N/C(N)=N/C2CC2)c1
InChIInChI=1S/C11H15N3S/c1-15-10-4-2-3-9(7-10)14-11(12)13-8-5-6-8/h2-4,7-8H,5-6H2,1H3,(H3,12,13,14)
InChIKeyKAQFLGHWGRSEGA-UHFFFAOYSA-N
XLogP2.30
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.30
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'}

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Related Compounds

1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine
CID 18622151
2-cyclobutyl-1-(3-propan-2-ylphenyl)guanidine
CID 119146737
2-cyclopropyl-1-naphthalen-2-ylguanidine
CID 55068735
2-(3-methylsulfanylcyclopentyl)-1-phenylguanidine
CID 113247076
2-cyclohexyl-1-phenylguanidine
CID 10900077
(2S,5R)-5-(aminomethyl)-N-(3-methylsulfanylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782725
2-cyclopropyl-1-(4-phenylphenyl)guanidine
CID 62379811
1-cyclopentyl-3-(3-methylsulfanylphenyl)thiourea
CID 116507255
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
2-[2-(2-bromoethylsulfanyl)phenyl]-1-(3-methylsulfanylphenyl)guanidine
CID 54051754
N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262082

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine (CID 62379412) is 2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine is CSc1cccc(N/C(N)=N/C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine?
The InChIKey is KAQFLGHWGRSEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-15-10-4-2-3-9(7-10)14-11(12)13-8-5-6-8/h2-4,7-8H,5-6H2,1H3,(H3,12,13,14).
What are the key properties of 2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine?
2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine has a molecular weight of 221.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine is sourced from PubChem (CID 62379412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).