2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine

C10H23N3O2S2 — CID 111609288

IUPAC2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine
SMILESC/N=C(\NCCS(C)(=O)=O)NCC(C)(C)SC
InChIInChI=1S/C10H23N3O2S2/c1-10(2,16-4)8-13-9(11-3)12-6-7-17(5,14)15/h6-8H2,1-5H3,(H2,11,12,13)
InChIKeyHKUHIQWGMNPAGP-UHFFFAOYSA-N
MW281.45 g/mol
LogP0.34
Rot. Bonds6

About 2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine

2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine (PubChem CID 111609288) has the molecular formula C10H23N3O2S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine
PubChem CID111609288
Molecular FormulaC10H23N3O2S2
Molecular Weight281.45 g/mol
Exact Mass281.12
IUPAC Name2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine
SMILESC/N=C(\NCCS(C)(=O)=O)NCC(C)(C)SC
InChIInChI=1S/C10H23N3O2S2/c1-10(2,16-4)8-13-9(11-3)12-6-7-17(5,14)15/h6-8H2,1-5H3,(H2,11,12,13)
InChIKeyHKUHIQWGMNPAGP-UHFFFAOYSA-N
XLogP0.34
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111605164
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfanylethyl)guanidine
CID 111611514
2-methyl-1-(2-methylsulfanylethyl)-3-(2-methylsulfonylethyl)guanidine
CID 111343719
1-[2-(benzylsulfamoyl)ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111609855
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methylsulfonylethyl)guanidine
CID 111320728
1-[2-(benzenesulfonamido)ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111610620
methyl 7-[[N'-methyl-N-(2-methyl-2-methylsulfanylpropyl)carbamimidoyl]amino]heptanoate;hydroiodide
CID 111610591
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111609431
1-(2-ethoxyethyl)-2-methyl-3-(2-methylsulfonylethyl)guanidine
CID 111896585
1-(cyclopropylmethyl)-2-methyl-3-(2-methylsulfonylethyl)guanidine
CID 111870010
1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 104882473
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[(4-methylsulfonylphenyl)methyl]guanidine
CID 111611926

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine?
The IUPAC name of 2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine (CID 111609288) is 2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine is C/N=C(\NCCS(C)(=O)=O)NCC(C)(C)SC.
What is the InChIKey of 2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine?
The InChIKey is HKUHIQWGMNPAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S2/c1-10(2,16-4)8-13-9(11-3)12-6-7-17(5,14)15/h6-8H2,1-5H3,(H2,11,12,13).
What are the key properties of 2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine?
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine has a molecular weight of 281.45 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine is sourced from PubChem (CID 111609288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).