1-(4-amino-4-methylpiperidin-1-yl)ethanethiol

C8H18N2S — CID 153001825

IUPAC1-(4-amino-4-methylpiperidin-1-yl)ethanethiol
SMILESCC(S)N1CCC(C)(N)CC1
InChIInChI=1S/C8H18N2S/c1-7(11)10-5-3-8(2,9)4-6-10/h7,11H,3-6,9H2,1-2H3
InChIKeyUYHQOQPRVAKLQC-UHFFFAOYSA-N
MW174.31 g/mol
LogP1.08
Rot. Bonds1

About 1-(4-amino-4-methylpiperidin-1-yl)ethanethiol

1-(4-amino-4-methylpiperidin-1-yl)ethanethiol (PubChem CID 153001825) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 1-(4-amino-4-methylpiperidin-1-yl)ethanethiol.

Molecular Properties

Compound Name1-(4-amino-4-methylpiperidin-1-yl)ethanethiol
PubChem CID153001825
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name1-(4-amino-4-methylpiperidin-1-yl)ethanethiol
SMILESCC(S)N1CCC(C)(N)CC1
InChIInChI=1S/C8H18N2S/c1-7(11)10-5-3-8(2,9)4-6-10/h7,11H,3-6,9H2,1-2H3
InChIKeyUYHQOQPRVAKLQC-UHFFFAOYSA-N
XLogP1.08
TPSA29.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-4-methylpiperidin-1-yl)ethanethiol?
The IUPAC name of 1-(4-amino-4-methylpiperidin-1-yl)ethanethiol (CID 153001825) is 1-(4-amino-4-methylpiperidin-1-yl)ethanethiol.
What is the SMILES notation for 1-(4-amino-4-methylpiperidin-1-yl)ethanethiol?
The canonical SMILES for 1-(4-amino-4-methylpiperidin-1-yl)ethanethiol is CC(S)N1CCC(C)(N)CC1.
What is the InChIKey of 1-(4-amino-4-methylpiperidin-1-yl)ethanethiol?
The InChIKey is UYHQOQPRVAKLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-7(11)10-5-3-8(2,9)4-6-10/h7,11H,3-6,9H2,1-2H3.
What are the key properties of 1-(4-amino-4-methylpiperidin-1-yl)ethanethiol?
1-(4-amino-4-methylpiperidin-1-yl)ethanethiol has a molecular weight of 174.31 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-4-methylpiperidin-1-yl)ethanethiol is sourced from PubChem (CID 153001825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).