2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine

C16H18N2O4S — CID 67164166

IUPAC2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine
SMILESNCCOc1ccc2c(c1)-c1cc(OCCN)ccc1S2(=O)=O
InChIInChI=1S/C16H18N2O4S/c17-5-7-21-11-1-3-15-13(9-11)14-10-12(22-8-6-18)2-4-16(14)23(15,19)20/h1-4,9-10H,5-8,17-18H2
InChIKeyNSYMGHYNFWAPAO-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.17
Rot. Bonds6

About 2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine

2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine (PubChem CID 67164166) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine.

Molecular Properties

Compound Name2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine
PubChem CID67164166
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine
SMILESNCCOc1ccc2c(c1)-c1cc(OCCN)ccc1S2(=O)=O
InChIInChI=1S/C16H18N2O4S/c17-5-7-21-11-1-3-15-13(9-11)14-10-12(22-8-6-18)2-4-16(14)23(15,19)20/h1-4,9-10H,5-8,17-18H2
InChIKeyNSYMGHYNFWAPAO-UHFFFAOYSA-N
XLogP1.17
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine
CID 67163167
N-[2-[5,5-dioxo-7-[2-(propylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]propan-1-amine
CID 67164379
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
3,6-bis(3-aminopropoxy)fluoren-9-one
CID 57439340
2-(6-chloronaphthalen-2-yl)oxyethanamine
CID 84687251
2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine
CID 11500436
2-[4-[5,8,11,20-tetrakis[4-(2-aminoethoxy)phenyl]-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]phenoxy]ethanamine
CID 176747721
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
3,4-diethyl-6-(5-hydroxypentoxy)-1,1-dioxothiochromen-2-one
CID 171421254
2-amino-4-(2-aminoethoxy)benzoic acid
CID 177325721
4-(2-aminoethoxy)-2-hydroxybenzoic acid
CID 18506511
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrochloride
CID 88770124

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine?
The IUPAC name of 2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine (CID 67164166) is 2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine.
What is the SMILES notation for 2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine?
The canonical SMILES for 2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine is NCCOc1ccc2c(c1)-c1cc(OCCN)ccc1S2(=O)=O.
What is the InChIKey of 2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine?
The InChIKey is NSYMGHYNFWAPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c17-5-7-21-11-1-3-15-13(9-11)14-10-12(22-8-6-18)2-4-16(14)23(15,19)20/h1-4,9-10H,5-8,17-18H2.
What are the key properties of 2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine?
2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine has a molecular weight of 334.40 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-aminoethoxy)-5,5-dioxodibenzothiophen-2-yl]oxyethanamine is sourced from PubChem (CID 67164166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).