N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine

C15H22N4O2S — CID 10471383

IUPACN-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine
SMILESCNCCc1c[nH]c2ccc(CN3CCN(C)S3(=O)=O)cc12
InChIInChI=1S/C15H22N4O2S/c1-16-6-5-13-10-17-15-4-3-12(9-14(13)15)11-19-8-7-18(2)22(19,20)21/h3-4,9-10,16-17H,5-8,11H2,1-2H3
InChIKeyYBKXXWBMSIFLCS-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.92
Rot. Bonds5

About N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine

N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine (PubChem CID 10471383) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine
PubChem CID10471383
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine
SMILESCNCCc1c[nH]c2ccc(CN3CCN(C)S3(=O)=O)cc12
InChIInChI=1S/C15H22N4O2S/c1-16-6-5-13-10-17-15-4-3-12(9-14(13)15)11-19-8-7-18(2)22(19,20)21/h3-4,9-10,16-17H,5-8,11H2,1-2H3
InChIKeyYBKXXWBMSIFLCS-UHFFFAOYSA-N
XLogP0.92
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine (CID 10471383) is N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine is CNCCc1c[nH]c2ccc(CN3CCN(C)S3(=O)=O)cc12.
What is the InChIKey of N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine?
The InChIKey is YBKXXWBMSIFLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-16-6-5-13-10-17-15-4-3-12(9-14(13)15)11-19-8-7-18(2)22(19,20)21/h3-4,9-10,16-17H,5-8,11H2,1-2H3.
What are the key properties of N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine?
N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine has a molecular weight of 322.43 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10471383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).