3-(2-aminoethyl)-1H-indol-5-ol;sulfamide

C10H16N4O3S — CID 67549652

IUPAC3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
SMILESNCCc1c[nH]c2ccc(O)cc12.NS(N)(=O)=O
InChIInChI=1S/C10H12N2O.H4N2O2S/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;1-5(2,3)4/h1-2,5-6,12-13H,3-4,11H2;(H4,1,2,3,4)
InChIKeyGOKXZIURSNDYBO-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.48
Rot. Bonds2

About 3-(2-aminoethyl)-1H-indol-5-ol;sulfamide

3-(2-aminoethyl)-1H-indol-5-ol;sulfamide (PubChem CID 67549652) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indol-5-ol;sulfamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
PubChem CID67549652
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
SMILESNCCc1c[nH]c2ccc(O)cc12.NS(N)(=O)=O
InChIInChI=1S/C10H12N2O.H4N2O2S/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;1-5(2,3)4/h1-2,5-6,12-13H,3-4,11H2;(H4,1,2,3,4)
InChIKeyGOKXZIURSNDYBO-UHFFFAOYSA-N
XLogP-0.48
TPSA148.22 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethyl)-1H-indol-5-ol;1,3,4,5,6-pentahydroxyhexan-2-one
CID 174747773
3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid
CID 67100143
3-propyl-1H-indol-5-ol
CID 15366338
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
CID 53317992
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
4-(2-aminoethyl)benzene-1,2-diol;3-(2-aminoethyl)-1H-indol-5-ol;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
CID 66751470
3-(2-aminoethyl)-1H-indol-5-ol;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
CID 67527789
2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol
CID 135581382
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
CID 11358502
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;sulfamide?
The IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;sulfamide (CID 67549652) is 3-(2-aminoethyl)-1H-indol-5-ol;sulfamide.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indol-5-ol;sulfamide?
The canonical SMILES for 3-(2-aminoethyl)-1H-indol-5-ol;sulfamide is NCCc1c[nH]c2ccc(O)cc12.NS(N)(=O)=O.
What is the InChIKey of 3-(2-aminoethyl)-1H-indol-5-ol;sulfamide?
The InChIKey is GOKXZIURSNDYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.H4N2O2S/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;1-5(2,3)4/h1-2,5-6,12-13H,3-4,11H2;(H4,1,2,3,4).
What are the key properties of 3-(2-aminoethyl)-1H-indol-5-ol;sulfamide?
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide has a molecular weight of 272.33 g/mol, XLogP of -0.48, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indol-5-ol;sulfamide is sourced from PubChem (CID 67549652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).