1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine

C14H29N3O2S — CID 111966203

IUPAC1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine
SMILESCCN/C(=N\CC1(O)CCC1SCC)NC(C)COC
InChIInChI=1S/C14H29N3O2S/c1-5-15-13(17-11(3)9-19-4)16-10-14(18)8-7-12(14)20-6-2/h11-12,18H,5-10H2,1-4H3,(H2,15,16,17)
InChIKeyUYFUXCNCGWXRIW-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.22
Rot. Bonds8

About 1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine

1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine (PubChem CID 111966203) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine
PubChem CID111966203
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine
SMILESCCN/C(=N\CC1(O)CCC1SCC)NC(C)COC
InChIInChI=1S/C14H29N3O2S/c1-5-15-13(17-11(3)9-19-4)16-10-14(18)8-7-12(14)20-6-2/h11-12,18H,5-10H2,1-4H3,(H2,15,16,17)
InChIKeyUYFUXCNCGWXRIW-UHFFFAOYSA-N
XLogP1.22
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.22
H-Bond Donors ≤ 53
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-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111965602
1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111966087
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]guanidine
CID 111966137
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111237120
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]guanidine
CID 111966153
1-ethyl-3-(1-methoxypropan-2-yl)-2-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111237922
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234742
1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111966478
1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(2-methylpropoxy)ethyl]guanidine
CID 111235595
2-(3-butoxypropyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111235657
1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111794246
1-ethyl-3-(1-methoxypropan-2-yl)-2-pentylguanidine;hydroiodide
CID 111235092

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine (CID 111966203) is 1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine is CCN/C(=N\CC1(O)CCC1SCC)NC(C)COC.
What is the InChIKey of 1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine?
The InChIKey is UYFUXCNCGWXRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-5-15-13(17-11(3)9-19-4)16-10-14(18)8-7-12(14)20-6-2/h11-12,18H,5-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine?
1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine has a molecular weight of 303.47 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-3-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 111966203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).