N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine

C12H18N4O2S — CID 84760927

IUPACN'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine
SMILESNCCNS(=O)(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H18N4O2S/c13-6-8-16-19(17,18)15-7-5-10-9-14-12-4-2-1-3-11(10)12/h1-4,9,14-16H,5-8,13H2
InChIKeyOCRLYUBGTUWRQL-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.09
Rot. Bonds7

About N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine

N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine (PubChem CID 84760927) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine
PubChem CID84760927
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine
SMILESNCCNS(=O)(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H18N4O2S/c13-6-8-16-19(17,18)15-7-5-10-9-14-12-4-2-1-3-11(10)12/h1-4,9,14-16H,5-8,13H2
InChIKeyOCRLYUBGTUWRQL-UHFFFAOYSA-N
XLogP0.09
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
CID 106386056
2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 25035880
N-[2-(1H-indol-3-yl)ethyl]cyclopropanesulfonamide
CID 113250435
N-(2-aminoethyl)-1H-indole-3-sulfonamide
CID 82292478
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide
CID 61252751
4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2737664
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
carbamic acid;N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 158434815
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
CID 90624527
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine (CID 84760927) is N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine is NCCNS(=O)(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine?
The InChIKey is OCRLYUBGTUWRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c13-6-8-16-19(17,18)15-7-5-10-9-14-12-4-2-1-3-11(10)12/h1-4,9,14-16H,5-8,13H2.
What are the key properties of N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine?
N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine has a molecular weight of 282.37 g/mol, XLogP of 0.09, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine is sourced from PubChem (CID 84760927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).