1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine

C15H26N4O3S — CID 111779891

IUPAC1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine
SMILESC/N=C(/NCCOc1ccccc1)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C15H26N4O3S/c1-15(2,19-23(4,20)21)12-18-14(16-3)17-10-11-22-13-8-6-5-7-9-13/h5-9,19H,10-12H2,1-4H3,(H2,16,17,18)
InChIKeyZTKRRCFGWIJVMS-UHFFFAOYSA-N
MW342.46 g/mol
LogP0.56
Rot. Bonds8

About 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine

1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine (PubChem CID 111779891) has the molecular formula C15H26N4O3S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine
PubChem CID111779891
Molecular FormulaC15H26N4O3S
Molecular Weight342.46 g/mol
Exact Mass342.17
IUPAC Name1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine
SMILESC/N=C(/NCCOc1ccccc1)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C15H26N4O3S/c1-15(2,19-23(4,20)21)12-18-14(16-3)17-10-11-22-13-8-6-5-7-9-13/h5-9,19H,10-12H2,1-4H3,(H2,16,17,18)
InChIKeyZTKRRCFGWIJVMS-UHFFFAOYSA-N
XLogP0.56
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 50.56
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'}

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Related Compounds

1-[2-(methanesulfonamido)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111779047
2-methyl-1-(3-methylsulfonylpropyl)-3-(2-phenoxyethyl)guanidine
CID 111006033
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-phenoxyethyl)guanidine
CID 111611474
1-[2-(2-fluorophenyl)ethyl]-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine
CID 111785921
tert-butyl N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]carbamate
CID 111006689
N-tert-butyl-2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]acetamide
CID 111005689
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111982916
1-[2-(4-fluorophenyl)ethyl]-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine
CID 111782794
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111785516
1-(2-butoxyethyl)-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111006643
2-methyl-1-(2-methylpropyl)-3-(2-phenoxyethyl)guanidine
CID 111005613
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-phenoxyethyl)guanidine
CID 111005903

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine?
The IUPAC name of 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine (CID 111779891) is 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine.
What is the SMILES notation for 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine?
The canonical SMILES for 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine is C/N=C(/NCCOc1ccccc1)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine?
The InChIKey is ZTKRRCFGWIJVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-15(2,19-23(4,20)21)12-18-14(16-3)17-10-11-22-13-8-6-5-7-9-13/h5-9,19H,10-12H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine?
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine has a molecular weight of 342.46 g/mol, XLogP of 0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine is sourced from PubChem (CID 111779891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).