2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol

C13H18N2S — CID 116908811

IUPAC2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol
SMILESCN(C)C(CS)c1cn(C)c2ccccc12
InChIInChI=1S/C13H18N2S/c1-14(2)13(9-16)11-8-15(3)12-7-5-4-6-10(11)12/h4-8,13,16H,9H2,1-3H3
InChIKeyFRGDFLXPYJYCJV-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.71
Rot. Bonds3

About 2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol

2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol (PubChem CID 116908811) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol.

Molecular Properties

Compound Name2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol
PubChem CID116908811
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol
SMILESCN(C)C(CS)c1cn(C)c2ccccc12
InChIInChI=1S/C13H18N2S/c1-14(2)13(9-16)11-8-15(3)12-7-5-4-6-10(11)12/h4-8,13,16H,9H2,1-3H3
InChIKeyFRGDFLXPYJYCJV-UHFFFAOYSA-N
XLogP2.71
TPSA8.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine
CID 116907436
1-(1-methylindol-3-yl)-2-sulfanylethanol
CID 116830001
1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine
CID 116915219
1-(1-methylindol-3-yl)-3-sulfanylpropane-1,2-diol
CID 170821284
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
1-methyl-3-propan-2-ylindole
CID 10942942
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 90490919
N-[2-(dimethylamino)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90491021
1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine
CID 116908531
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 90490886

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol?
The IUPAC name of 2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol (CID 116908811) is 2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol.
What is the SMILES notation for 2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol?
The canonical SMILES for 2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol is CN(C)C(CS)c1cn(C)c2ccccc12.
What is the InChIKey of 2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol?
The InChIKey is FRGDFLXPYJYCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-14(2)13(9-16)11-8-15(3)12-7-5-4-6-10(11)12/h4-8,13,16H,9H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol?
2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol has a molecular weight of 234.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol is sourced from PubChem (CID 116908811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).