1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine

C15H22N4O4S2 — CID 111398427

IUPAC1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
SMILESC/N=C(\NCCCOCc1ccco1)NCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C15H22N4O4S2/c1-17-15(18-7-3-8-22-11-12-4-2-9-23-12)19-10-13-5-6-14(24-13)25(16,20)21/h2,4-6,9H,3,7-8,10-11H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyWFPLUDFUBAXJNS-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.26
Rot. Bonds9

About 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine

1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine (PubChem CID 111398427) has the molecular formula C15H22N4O4S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
PubChem CID111398427
Molecular FormulaC15H22N4O4S2
Molecular Weight386.50 g/mol
Exact Mass386.11
IUPAC Name1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
SMILESC/N=C(\NCCCOCc1ccco1)NCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C15H22N4O4S2/c1-17-15(18-7-3-8-22-11-12-4-2-9-23-12)19-10-13-5-6-14(24-13)25(16,20)21/h2,4-6,9H,3,7-8,10-11H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyWFPLUDFUBAXJNS-UHFFFAOYSA-N
XLogP1.26
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398573
1-[2-(benzenesulfonyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111398556
4-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111398965
1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111399131
5-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908702
1-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398997
methyl 4-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzoate
CID 111162239
1-[3-(furan-2-ylmethoxy)propyl]-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 111399917
1-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111398996
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111400033
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110979106
2-methyl-1-(3-methylbutyl)-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
CID 110978327

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine?
The IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine (CID 111398427) is 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine?
The canonical SMILES for 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine is C/N=C(\NCCCOCc1ccco1)NCc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine?
The InChIKey is WFPLUDFUBAXJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S2/c1-17-15(18-7-3-8-22-11-12-4-2-9-23-12)19-10-13-5-6-14(24-13)25(16,20)21/h2,4-6,9H,3,7-8,10-11H2,1H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine?
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine has a molecular weight of 386.50 g/mol, XLogP of 1.26, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine is sourced from PubChem (CID 111398427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).