1-(2-piperidin-1-ylethylamino)ethanethiol

C9H20N2S — CID 129067667

IUPAC1-(2-piperidin-1-ylethylamino)ethanethiol
SMILESCC(S)NCCN1CCCCC1
InChIInChI=1S/C9H20N2S/c1-9(12)10-5-8-11-6-3-2-4-7-11/h9-10,12H,2-8H2,1H3
InChIKeySKHQMMQWZGPHFB-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.34
Rot. Bonds4

About 1-(2-piperidin-1-ylethylamino)ethanethiol

1-(2-piperidin-1-ylethylamino)ethanethiol (PubChem CID 129067667) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethylamino)ethanethiol.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethylamino)ethanethiol
PubChem CID129067667
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name1-(2-piperidin-1-ylethylamino)ethanethiol
SMILESCC(S)NCCN1CCCCC1
InChIInChI=1S/C9H20N2S/c1-9(12)10-5-8-11-6-3-2-4-7-11/h9-10,12H,2-8H2,1H3
InChIKeySKHQMMQWZGPHFB-UHFFFAOYSA-N
XLogP1.34
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
N-[2-(azocan-1-yl)ethyl]-1-cyclopropylethanamine
CID 62574708
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103387444
N-[2-(azocan-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62573966
N-[2-(azepan-1-yl)ethyl]-3-methoxybutan-2-amine
CID 115708434
2-(2-piperidin-1-ylethylamino)propanoic acid
CID 43467348
N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine
CID 61241929
N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine
CID 107906914
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine
CID 142155161
N-[2-(azepan-1-yl)ethyl]heptan-2-amine
CID 61241150

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethylamino)ethanethiol?
The IUPAC name of 1-(2-piperidin-1-ylethylamino)ethanethiol (CID 129067667) is 1-(2-piperidin-1-ylethylamino)ethanethiol.
What is the SMILES notation for 1-(2-piperidin-1-ylethylamino)ethanethiol?
The canonical SMILES for 1-(2-piperidin-1-ylethylamino)ethanethiol is CC(S)NCCN1CCCCC1.
What is the InChIKey of 1-(2-piperidin-1-ylethylamino)ethanethiol?
The InChIKey is SKHQMMQWZGPHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-9(12)10-5-8-11-6-3-2-4-7-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-(2-piperidin-1-ylethylamino)ethanethiol?
1-(2-piperidin-1-ylethylamino)ethanethiol has a molecular weight of 188.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethylamino)ethanethiol is sourced from PubChem (CID 129067667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).