1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide

C12H17N3O2S — CID 10563906

IUPAC1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc2[nH][14cH]c(CCN)c2c1
InChIInChI=1S/C12H17N3O2S/c1-14-18(16,17)8-9-2-3-12-11(6-9)10(4-5-13)7-15-12/h2-3,6-7,14-15H,4-5,8,13H2,1H3/i7+2
InChIKeyMURZXKIEJFJMPP-WGGUOBTBSA-N
MW269.35 g/mol
LogP0.72
Rot. Bonds5

About 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide

1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide (PubChem CID 10563906) has the molecular formula C12H17N3O2S and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
PubChem CID10563906
Molecular FormulaC12H17N3O2S
Molecular Weight269.35 g/mol
Exact Mass269.11
IUPAC Name1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc2[nH][14cH]c(CCN)c2c1
InChIInChI=1S/C12H17N3O2S/c1-14-18(16,17)8-9-2-3-12-11(6-9)10(4-5-13)7-15-12/h2-3,6-7,14-15H,4-5,8,13H2,1H3/i7+2
InChIKeyMURZXKIEJFJMPP-WGGUOBTBSA-N
XLogP0.72
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide (CID 10563906) is 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1ccc2[nH][14cH]c(CCN)c2c1.
What is the InChIKey of 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide?
The InChIKey is MURZXKIEJFJMPP-WGGUOBTBSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-14-18(16,17)8-9-2-3-12-11(6-9)10(4-5-13)7-15-12/h2-3,6-7,14-15H,4-5,8,13H2,1H3/i7+2.
What are the key properties of 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide?
1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide has a molecular weight of 269.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 10563906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).