1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine

C18H30N4S2 — CID 111939351

IUPAC1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccsc1)NCC1(N2CCSCC2)CCCC1
InChIInChI=1S/C18H30N4S2/c1-2-19-17(20-13-16-5-10-24-14-16)21-15-18(6-3-4-7-18)22-8-11-23-12-9-22/h5,10,14H,2-4,6-9,11-13,15H2,1H3,(H2,19,20,21)
InChIKeyFAJQQPPQJLYTBD-UHFFFAOYSA-N
MW366.60 g/mol
LogP3.16
Rot. Bonds6

About 1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine

1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine (PubChem CID 111939351) has the molecular formula C18H30N4S2 and a molecular weight of 366.60 g/mol. Its IUPAC name is 1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine
PubChem CID111939351
Molecular FormulaC18H30N4S2
Molecular Weight366.60 g/mol
Exact Mass366.19
IUPAC Name1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccsc1)NCC1(N2CCSCC2)CCCC1
InChIInChI=1S/C18H30N4S2/c1-2-19-17(20-13-16-5-10-24-14-16)21-15-18(6-3-4-7-18)22-8-11-23-12-9-22/h5,10,14H,2-4,6-9,11-13,15H2,1H3,(H2,19,20,21)
InChIKeyFAJQQPPQJLYTBD-UHFFFAOYSA-N
XLogP3.16
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.60
LogP ≤ 53.16
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-ethyl-3-[(1-hydroxycyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111999766
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine
CID 111593999
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine
CID 111292655
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111292654
1-[2-(azepan-1-yl)ethyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940696
2-(2,2-diethyl-4-hydroxybutyl)-1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide
CID 111716285
1-ethyl-3-[3-(1-methylpyrazol-4-yl)propyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111940859
1-ethyl-3-propan-2-yl-2-(thiophen-3-ylmethyl)guanidine
CID 111125859
1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111225748
1-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 119140378
1-ethyl-3-propyl-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine
CID 111228595
1-ethyl-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111939965

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine (CID 111939351) is 1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine is CCN/C(=N\Cc1ccsc1)NCC1(N2CCSCC2)CCCC1.
What is the InChIKey of 1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine?
The InChIKey is FAJQQPPQJLYTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4S2/c1-2-19-17(20-13-16-5-10-24-14-16)21-15-18(6-3-4-7-18)22-8-11-23-12-9-22/h5,10,14H,2-4,6-9,11-13,15H2,1H3,(H2,19,20,21).
What are the key properties of 1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine?
1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine has a molecular weight of 366.60 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2-(thiophen-3-ylmethyl)guanidine is sourced from PubChem (CID 111939351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).