1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine

C11H22N2S — CID 63595824

IUPAC1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(C2CCSC2)CC1
InChIInChI=1S/C11H22N2S/c1-9(12)10-2-5-13(6-3-10)11-4-7-14-8-11/h9-11H,2-8,12H2,1H3
InChIKeyOWHJLYPAGHHOEP-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.55
Rot. Bonds2

About 1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine

1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine (PubChem CID 63595824) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine
PubChem CID63595824
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(C2CCSC2)CC1
InChIInChI=1S/C11H22N2S/c1-9(12)10-2-5-13(6-3-10)11-4-7-14-8-11/h9-11H,2-8,12H2,1H3
InChIKeyOWHJLYPAGHHOEP-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine (CID 63595824) is 1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine is CC(N)C1CCN(C2CCSC2)CC1.
What is the InChIKey of 1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine?
The InChIKey is OWHJLYPAGHHOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9(12)10-2-5-13(6-3-10)11-4-7-14-8-11/h9-11H,2-8,12H2,1H3.
What are the key properties of 1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine?
1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine has a molecular weight of 214.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thiolan-3-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 63595824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).