1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine

C15H18N4O3S2 — CID 119140662

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
SMILESN/C(=N\Cc1ccc(S(N)(=O)=O)s1)NC1CCOc2ccccc21
InChIInChI=1S/C15H18N4O3S2/c16-15(18-9-10-5-6-14(23-10)24(17,20)21)19-12-7-8-22-13-4-2-1-3-11(12)13/h1-6,12H,7-9H2,(H3,16,18,19)(H2,17,20,21)
InChIKeyAUXQIPMIEGMCQA-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.32
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine

1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine (PubChem CID 119140662) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
PubChem CID119140662
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
SMILESN/C(=N\Cc1ccc(S(N)(=O)=O)s1)NC1CCOc2ccccc21
InChIInChI=1S/C15H18N4O3S2/c16-15(18-9-10-5-6-14(23-10)24(17,20)21)19-12-7-8-22-13-4-2-1-3-11(12)13/h1-6,12H,7-9H2,(H3,16,18,19)(H2,17,20,21)
InChIKeyAUXQIPMIEGMCQA-UHFFFAOYSA-N
XLogP1.32
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-dihydro-2H-chromen-4-yl)-2-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 119942654
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[2-(dimethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111598017
2-(2-chloroprop-2-enyl)-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 119147890
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111597519
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine
CID 120603094
1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
CID 75418867
1-(3,4-dihydro-2H-chromen-4-yl)-2-(pyridazin-3-ylmethyl)guanidine;hydroiodide
CID 120580491
1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(methanesulfonamido)propyl]guanidine;hydroiodide
CID 111598925
2-[(2-cyclobutyloxyphenyl)methyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 119148013
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[4-(methylsulfanylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 120973800
2-[2-(4-chlorophenyl)sulfonylethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 119140818
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111815201

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine (CID 119140662) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine is N/C(=N\Cc1ccc(S(N)(=O)=O)s1)NC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine?
The InChIKey is AUXQIPMIEGMCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c16-15(18-9-10-5-6-14(23-10)24(17,20)21)19-12-7-8-22-13-4-2-1-3-11(12)13/h1-6,12H,7-9H2,(H3,16,18,19)(H2,17,20,21).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine?
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine has a molecular weight of 366.47 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-sulfamoylthiophen-2-yl)methyl]guanidine is sourced from PubChem (CID 119140662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).