1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide

C10H19IN4O3S — CID 110934708

IUPAC1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCNS(C)(=O)=O)NCc1ccco1.I
InChIInChI=1S/C10H18N4O3S.HI/c1-11-10(12-5-6-14-18(2,15)16)13-8-9-4-3-7-17-9;/h3-4,7,14H,5-6,8H2,1-2H3,(H2,11,12,13);1H
InChIKeySWMKCKIMTKBBLT-UHFFFAOYSA-N
MW402.26 g/mol
LogP0.11
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide

1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide (PubChem CID 110934708) has the molecular formula C10H19IN4O3S and a molecular weight of 402.26 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide
PubChem CID110934708
Molecular FormulaC10H19IN4O3S
Molecular Weight402.26 g/mol
Exact Mass402.02
IUPAC Name1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCNS(C)(=O)=O)NCc1ccco1.I
InChIInChI=1S/C10H18N4O3S.HI/c1-11-10(12-5-6-14-18(2,15)16)13-8-9-4-3-7-17-9;/h3-4,7,14H,5-6,8H2,1-2H3,(H2,11,12,13);1H
InChIKeySWMKCKIMTKBBLT-UHFFFAOYSA-N
XLogP0.11
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide
CID 111975016
3-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 110934465
1-(furan-2-ylmethyl)-3-[2-(2-hydroxyethoxy)ethyl]-2-methylguanidine
CID 110934675
2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119114439
1-(furan-2-ylmethyl)-2-methyl-3-[(4-methylsulfonyloxan-4-yl)methyl]guanidine
CID 111444517
1-[(4-fluorophenyl)methyl]-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine
CID 111231619
1-[(2-ethylphenyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111635870
1-[2-(methanesulfonamido)ethyl]-2-methyl-3-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine;hydroiodide
CID 111603142
1-[2-(benzylsulfamoyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111353681
1-(furan-2-ylmethyl)-2-methyl-3-[(2,3,5,6-tetrafluorophenyl)methyl]guanidine;hydroiodide
CID 86778612
tert-butyl 6-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]hexanoate;hydroiodide
CID 111465865
1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111353458

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide (CID 110934708) is 1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide is C/N=C(\NCCNS(C)(=O)=O)NCc1ccco1.I.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is SWMKCKIMTKBBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S.HI/c1-11-10(12-5-6-14-18(2,15)16)13-8-9-4-3-7-17-9;/h3-4,7,14H,5-6,8H2,1-2H3,(H2,11,12,13);1H.
What are the key properties of 1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide?
1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 402.26 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110934708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).