N-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide

C15H30N4O3S — CID 111826122

IUPACN-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCS(=O)(=O)NCC1CCCCO1)N1CCCC1
InChIInChI=1S/C15H30N4O3S/c1-2-16-15(19-9-4-5-10-19)17-8-12-23(20,21)18-13-14-7-3-6-11-22-14/h14,18H,2-13H2,1H3,(H,16,17)
InChIKeyAUYHWJASEPHXDZ-UHFFFAOYSA-N
MW346.50 g/mol
LogP0.54
Rot. Bonds7

About N-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide

N-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide (PubChem CID 111826122) has the molecular formula C15H30N4O3S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide
PubChem CID111826122
Molecular FormulaC15H30N4O3S
Molecular Weight346.50 g/mol
Exact Mass346.20
IUPAC NameN-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCS(=O)(=O)NCC1CCCCO1)N1CCCC1
InChIInChI=1S/C15H30N4O3S/c1-2-16-15(19-9-4-5-10-19)17-8-12-23(20,21)18-13-14-7-3-6-11-22-14/h14,18H,2-13H2,1H3,(H,16,17)
InChIKeyAUYHWJASEPHXDZ-UHFFFAOYSA-N
XLogP0.54
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1,3-diethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111117769
N-ethyl-N'-(2-methylsulfonylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447116
1,1-dimethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 119147595
1-ethyl-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111827652
1-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 111831480
2-butyl-1-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 111811193
N-ethyl-N'-(2-hydroxyethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448641
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111831077
1-ethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111830987
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111831276
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111828039
N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide
CID 111211047

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide (CID 111826122) is N-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide is CCN/C(=N\CCS(=O)(=O)NCC1CCCCO1)N1CCCC1.
What is the InChIKey of N-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide?
The InChIKey is AUYHWJASEPHXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3S/c1-2-16-15(19-9-4-5-10-19)17-8-12-23(20,21)18-13-14-7-3-6-11-22-14/h14,18H,2-13H2,1H3,(H,16,17).
What are the key properties of N-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide?
N-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide has a molecular weight of 346.50 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111826122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).