N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

C18H30N4O2S — CID 109451835

IUPACN-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCCS(=O)(=O)NCc1ccccc1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C18H30N4O2S/c1-17(2)14-22(18(17,3)4)16(19-5)20-11-12-25(23,24)21-13-15-9-7-6-8-10-15/h6-10,21H,11-14H2,1-5H3,(H,19,20)
InChIKeyMKMQUKGCDGMEOC-UHFFFAOYSA-N
MW366.53 g/mol
LogP1.80
Rot. Bonds6

About N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109451835) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
PubChem CID109451835
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCCS(=O)(=O)NCc1ccccc1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C18H30N4O2S/c1-17(2)14-22(18(17,3)4)16(19-5)20-11-12-25(23,24)21-13-15-9-7-6-8-10-15/h6-10,21H,11-14H2,1-5H3,(H,19,20)
InChIKeyMKMQUKGCDGMEOC-UHFFFAOYSA-N
XLogP1.80
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 51.80
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

N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453353
N-benzyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
CID 109451915
N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109452688
N',2,2,3,3-pentamethyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]azetidine-1-carboximidamide
CID 109453616
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109454257
1-[2-(benzylsulfamoyl)ethyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111134753
N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide
CID 109451751
1-[2-(benzylsulfamoyl)ethyl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine
CID 111635236
N-[(4-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109452660
N-[[4-(methoxymethyl)phenyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453071
1-[2-(benzylsulfamoyl)ethyl]-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methylguanidine
CID 111698641
N-[[3-(methoxymethyl)phenyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453396

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109451835) is N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is C/N=C(\NCCS(=O)(=O)NCc1ccccc1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The InChIKey is MKMQUKGCDGMEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-17(2)14-22(18(17,3)4)16(19-5)20-11-12-25(23,24)21-13-15-9-7-6-8-10-15/h6-10,21H,11-14H2,1-5H3,(H,19,20).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 366.53 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109451835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).