2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol

C15H20N2S — CID 116997210

IUPAC2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
SMILESSCCN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H20N2S/c18-10-9-17-7-5-12(6-8-17)14-11-16-15-4-2-1-3-13(14)15/h1-4,11-12,16,18H,5-10H2
InChIKeyJOSAKXKGYIBKRE-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.28
Rot. Bonds3

About 2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol

2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol (PubChem CID 116997210) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol.

Molecular Properties

Compound Name2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
PubChem CID116997210
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
SMILESSCCN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H20N2S/c18-10-9-17-7-5-12(6-8-17)14-11-16-15-4-2-1-3-13(14)15/h1-4,11-12,16,18H,5-10H2
InChIKeyJOSAKXKGYIBKRE-UHFFFAOYSA-N
XLogP3.28
TPSA19.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
buta-1,3-diene;ethane;3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-amine
CID 143060234
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-1H-benzimidazol-2-one
CID 13056042
3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole
CID 134100949
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol?
The IUPAC name of 2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol (CID 116997210) is 2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol.
What is the SMILES notation for 2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol?
The canonical SMILES for 2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol is SCCN1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol?
The InChIKey is JOSAKXKGYIBKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c18-10-9-17-7-5-12(6-8-17)14-11-16-15-4-2-1-3-13(14)15/h1-4,11-12,16,18H,5-10H2.
What are the key properties of 2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol?
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol has a molecular weight of 260.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol is sourced from PubChem (CID 116997210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).