N,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine

C17H24N2S — CID 18007572

IUPACN,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine
SMILESCN(C)CCn1ccc2ccc(C3CCSCC3)cc21
InChIInChI=1S/C17H24N2S/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-5,8,13-14H,6-7,9-12H2,1-2H3
InChIKeyUWYZZKNKISXKQJ-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.81
Rot. Bonds4

About N,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine

N,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine (PubChem CID 18007572) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine
PubChem CID18007572
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine
SMILESCN(C)CCn1ccc2ccc(C3CCSCC3)cc21
InChIInChI=1S/C17H24N2S/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-5,8,13-14H,6-7,9-12H2,1-2H3
InChIKeyUWYZZKNKISXKQJ-UHFFFAOYSA-N
XLogP3.81
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine (CID 18007572) is N,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine is CN(C)CCn1ccc2ccc(C3CCSCC3)cc21.
What is the InChIKey of N,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine?
The InChIKey is UWYZZKNKISXKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-5,8,13-14H,6-7,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine?
N,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine has a molecular weight of 288.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-(thian-4-yl)indol-1-yl]ethanamine is sourced from PubChem (CID 18007572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).