1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine

C19H34N4O2S — CID 111173669

IUPAC1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine
SMILESC/N=C(/NCc1ccccc1S(=O)(=O)N(C)C)NC(C)CCCC(C)C
InChIInChI=1S/C19H34N4O2S/c1-15(2)10-9-11-16(3)22-19(20-4)21-14-17-12-7-8-13-18(17)26(24,25)23(5)6/h7-8,12-13,15-16H,9-11,14H2,1-6H3,(H2,20,21,22)
InChIKeyACJWALCDKXQENH-UHFFFAOYSA-N
MW382.57 g/mol
LogP2.82
Rot. Bonds9

About 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine

1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine (PubChem CID 111173669) has the molecular formula C19H34N4O2S and a molecular weight of 382.57 g/mol. Its IUPAC name is 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine.

Molecular Properties

Compound Name1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine
PubChem CID111173669
Molecular FormulaC19H34N4O2S
Molecular Weight382.57 g/mol
Exact Mass382.24
IUPAC Name1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine
SMILESC/N=C(/NCc1ccccc1S(=O)(=O)N(C)C)NC(C)CCCC(C)C
InChIInChI=1S/C19H34N4O2S/c1-15(2)10-9-11-16(3)22-19(20-4)21-14-17-12-7-8-13-18(17)26(24,25)23(5)6/h7-8,12-13,15-16H,9-11,14H2,1-6H3,(H2,20,21,22)
InChIKeyACJWALCDKXQENH-UHFFFAOYSA-N
XLogP2.82
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-octan-2-ylguanidine
CID 111212345
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943432
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110914553
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111691875
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359573
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-ethylbutyl)-2-methylguanidine
CID 111891219
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111215724
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171683
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-(5-methylhexan-2-yl)guanidine
CID 111203938
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(3-phenoxypropyl)guanidine
CID 111417849
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine
CID 111678220
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(4-methoxyphenyl)butyl]-2-methylguanidine
CID 111641284

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine?
The IUPAC name of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine (CID 111173669) is 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine.
What is the SMILES notation for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine?
The canonical SMILES for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine is C/N=C(/NCc1ccccc1S(=O)(=O)N(C)C)NC(C)CCCC(C)C.
What is the InChIKey of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine?
The InChIKey is ACJWALCDKXQENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2S/c1-15(2)10-9-11-16(3)22-19(20-4)21-14-17-12-7-8-13-18(17)26(24,25)23(5)6/h7-8,12-13,15-16H,9-11,14H2,1-6H3,(H2,20,21,22).
What are the key properties of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine?
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine has a molecular weight of 382.57 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine is sourced from PubChem (CID 111173669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).