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

C11H14N2S — CID 116868623

IUPAC2-amino-1-(1-methylindol-3-yl)ethanethiol
SMILESCn1cc(C(S)CN)c2ccccc21
InChIInChI=1S/C11H14N2S/c1-13-7-9(11(14)6-12)8-4-2-3-5-10(8)13/h2-5,7,11,14H,6,12H2,1H3
InChIKeyHSYGAJJRCGNZAH-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.11
Rot. Bonds2

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

2-amino-1-(1-methylindol-3-yl)ethanethiol (PubChem CID 116868623) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-amino-1-(1-methylindol-3-yl)ethanethiol.

Molecular Properties

Compound Name2-amino-1-(1-methylindol-3-yl)ethanethiol
PubChem CID116868623
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-amino-1-(1-methylindol-3-yl)ethanethiol
SMILESCn1cc(C(S)CN)c2ccccc21
InChIInChI=1S/C11H14N2S/c1-13-7-9(11(14)6-12)8-4-2-3-5-10(8)13/h2-5,7,11,14H,6,12H2,1H3
InChIKeyHSYGAJJRCGNZAH-UHFFFAOYSA-N
XLogP2.11
TPSA30.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
3-methoxy-2-(1-methylindol-3-yl)propan-1-amine
CID 116835610
1-methyl-3-propan-2-ylindole
CID 10942942
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673
1-(1-methylindol-3-yl)-2-sulfanylethanol
CID 116830001
3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine
CID 82021282
2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
CID 116933418
2-cyclopentyl-2-(1-methylindol-3-yl)ethanamine
CID 10633946
acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
CID 75539416
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
2-(4-methylcyclohexyl)-2-(1-methylindol-3-yl)ethanamine
CID 83976772

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methylindol-3-yl)ethanethiol?
The IUPAC name of 2-amino-1-(1-methylindol-3-yl)ethanethiol (CID 116868623) is 2-amino-1-(1-methylindol-3-yl)ethanethiol.
What is the SMILES notation for 2-amino-1-(1-methylindol-3-yl)ethanethiol?
The canonical SMILES for 2-amino-1-(1-methylindol-3-yl)ethanethiol is Cn1cc(C(S)CN)c2ccccc21.
What is the InChIKey of 2-amino-1-(1-methylindol-3-yl)ethanethiol?
The InChIKey is HSYGAJJRCGNZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-13-7-9(11(14)6-12)8-4-2-3-5-10(8)13/h2-5,7,11,14H,6,12H2,1H3.
What are the key properties of 2-amino-1-(1-methylindol-3-yl)ethanethiol?
2-amino-1-(1-methylindol-3-yl)ethanethiol has a molecular weight of 206.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-methylindol-3-yl)ethanethiol is sourced from PubChem (CID 116868623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).