1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine

C19H28FN5O3S — CID 111888445

IUPAC1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine
SMILESCCN/C(=N\CCS(=O)(=O)N1CCOCC1)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C19H28FN5O3S/c1-2-21-19(23-7-12-29(26,27)25-8-10-28-11-9-25)22-6-5-15-14-24-18-13-16(20)3-4-17(15)18/h3-4,13-14,24H,2,5-12H2,1H3,(H2,21,22,23)
InChIKeyBLZINSXQGGTCMF-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.07
Rot. Bonds8

About 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine

1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine (PubChem CID 111888445) has the molecular formula C19H28FN5O3S and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine
PubChem CID111888445
Molecular FormulaC19H28FN5O3S
Molecular Weight425.53 g/mol
Exact Mass425.19
IUPAC Name1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine
SMILESCCN/C(=N\CCS(=O)(=O)N1CCOCC1)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C19H28FN5O3S/c1-2-21-19(23-7-12-29(26,27)25-8-10-28-11-9-25)22-6-5-15-14-24-18-13-16(20)3-4-17(15)18/h3-4,13-14,24H,2,5-12H2,1H3,(H2,21,22,23)
InChIKeyBLZINSXQGGTCMF-UHFFFAOYSA-N
XLogP1.07
TPSA98.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.07
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-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111888214
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111888842
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111888608
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111547773
1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111888575
2-(3-benzylsulfonylpropyl)-1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111887827
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111147806
3-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylpropanamide;hydroiodide
CID 111888210
1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972212
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(5-methoxypentyl)guanidine
CID 111888613
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111888791
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 111888571

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine (CID 111888445) is 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine is CCN/C(=N\CCS(=O)(=O)N1CCOCC1)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine?
The InChIKey is BLZINSXQGGTCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN5O3S/c1-2-21-19(23-7-12-29(26,27)25-8-10-28-11-9-25)22-6-5-15-14-24-18-13-16(20)3-4-17(15)18/h3-4,13-14,24H,2,5-12H2,1H3,(H2,21,22,23).
What are the key properties of 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine?
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine has a molecular weight of 425.53 g/mol, XLogP of 1.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylsulfonylethyl)guanidine is sourced from PubChem (CID 111888445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).