N-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide

C16H25N3O2S — CID 67739874

IUPACN-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide
SMILESCCn1cc(CCN(C)C)c2cc(NS(=O)(=O)CC)ccc21
InChIInChI=1S/C16H25N3O2S/c1-5-19-12-13(9-10-18(3)4)15-11-14(7-8-16(15)19)17-22(20,21)6-2/h7-8,11-12,17H,5-6,9-10H2,1-4H3
InChIKeyYLOLZVMKQBPGBK-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.53
Rot. Bonds7

About N-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide

N-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide (PubChem CID 67739874) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide
PubChem CID67739874
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide
SMILESCCn1cc(CCN(C)C)c2cc(NS(=O)(=O)CC)ccc21
InChIInChI=1S/C16H25N3O2S/c1-5-19-12-13(9-10-18(3)4)15-11-14(7-8-16(15)19)17-22(20,21)6-2/h7-8,11-12,17H,5-6,9-10H2,1-4H3
InChIKeyYLOLZVMKQBPGBK-UHFFFAOYSA-N
XLogP2.53
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide (CID 67739874) is N-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide is CCn1cc(CCN(C)C)c2cc(NS(=O)(=O)CC)ccc21.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide?
The InChIKey is YLOLZVMKQBPGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-5-19-12-13(9-10-18(3)4)15-11-14(7-8-16(15)19)17-22(20,21)6-2/h7-8,11-12,17H,5-6,9-10H2,1-4H3.
What are the key properties of N-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide?
N-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide has a molecular weight of 323.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide is sourced from PubChem (CID 67739874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).