N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine

C15H22N2O5S — CID 122141076

IUPACN-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine
SMILESCCNS(=O)(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1
InChIInChI=1S/C15H22N2O5S/c1-2-16-23(18,19)17-10-15(5-7-20-8-6-15)12-3-4-13-14(9-12)22-11-21-13/h3-4,9,16-17H,2,5-8,10-11H2,1H3
InChIKeyIOVCJSPGVRJKGO-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.91
Rot. Bonds6

About N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine

N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine (PubChem CID 122141076) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine
PubChem CID122141076
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine
SMILESCCNS(=O)(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1
InChIInChI=1S/C15H22N2O5S/c1-2-16-23(18,19)17-10-15(5-7-20-8-6-15)12-3-4-13-14(9-12)22-11-21-13/h3-4,9,16-17H,2,5-8,10-11H2,1H3
InChIKeyIOVCJSPGVRJKGO-UHFFFAOYSA-N
XLogP0.91
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-ethylbutanamide
CID 47873986
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3,5-dimethylbenzamide
CID 47873937
3-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]propanamide
CID 119303789
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-N',N'-diethylpentanediamide
CID 56522025
2-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]benzamide
CID 119944971
1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119303810
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]azepane-1-carboxamide
CID 47873460
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-4-methylpiperidine-1-carboxamide
CID 47873402
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 110934579
1-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929693
1-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-ethyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111957688
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 110934578

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine?
The IUPAC name of N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine (CID 122141076) is N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine.
What is the SMILES notation for N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine?
The canonical SMILES for N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine is CCNS(=O)(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1.
What is the InChIKey of N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine?
The InChIKey is IOVCJSPGVRJKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-2-16-23(18,19)17-10-15(5-7-20-8-6-15)12-3-4-13-14(9-12)22-11-21-13/h3-4,9,16-17H,2,5-8,10-11H2,1H3.
What are the key properties of N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine?
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine has a molecular weight of 342.42 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine is sourced from PubChem (CID 122141076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).