2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine

C15H19N5O3S2 — CID 119118993

IUPAC2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccn1
InChIInChI=1S/C15H19N5O3S2/c16-15(19-13-3-1-2-6-17-13)18-11-12-4-5-14(24-12)25(21,22)20-7-9-23-10-8-20/h1-6H,7-11H2,(H3,16,17,18,19)
InChIKeyGMWRXSKTPBXIKT-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.09
Rot. Bonds5

About 2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine

2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine (PubChem CID 119118993) has the molecular formula C15H19N5O3S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine
PubChem CID119118993
Molecular FormulaC15H19N5O3S2
Molecular Weight381.48 g/mol
Exact Mass381.09
IUPAC Name2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccn1
InChIInChI=1S/C15H19N5O3S2/c16-15(19-13-3-1-2-6-17-13)18-11-12-4-5-14(24-12)25(21,22)20-7-9-23-10-8-20/h1-6H,7-11H2,(H3,16,17,18,19)
InChIKeyGMWRXSKTPBXIKT-UHFFFAOYSA-N
XLogP1.09
TPSA109.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3,4-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111064253
1,1-diethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 111064256
4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110919761
2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120558132
2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111038588
2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine
CID 120679682
1-butyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 111038573
1-butyl-3-ethyl-2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111149517
N-(2-ethylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 8839489
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
1,1-dimethyl-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 100673370
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119120609

Frequently Asked Questions

What is the IUPAC name of 2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine?
The IUPAC name of 2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine (CID 119118993) is 2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine is N/C(=N\Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccn1.
What is the InChIKey of 2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine?
The InChIKey is GMWRXSKTPBXIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S2/c16-15(19-13-3-1-2-6-17-13)18-11-12-4-5-14(24-12)25(21,22)20-7-9-23-10-8-20/h1-6H,7-11H2,(H3,16,17,18,19).
What are the key properties of 2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine?
2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine has a molecular weight of 381.48 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine is sourced from PubChem (CID 119118993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).