[3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine

C11H22N2S — CID 131218756

IUPAC[3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine
SMILESCCC1CCN(C2(CN)CSC2)CC1
InChIInChI=1S/C11H22N2S/c1-2-10-3-5-13(6-4-10)11(7-12)8-14-9-11/h10H,2-9,12H2,1H3
InChIKeyMEIRQERWKNVXTG-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.55
Rot. Bonds3

About [3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine

[3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine (PubChem CID 131218756) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is [3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine
PubChem CID131218756
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name[3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine
SMILESCCC1CCN(C2(CN)CSC2)CC1
InChIInChI=1S/C11H22N2S/c1-2-10-3-5-13(6-4-10)11(7-12)8-14-9-11/h10H,2-9,12H2,1H3
InChIKeyMEIRQERWKNVXTG-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 [3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine?
The IUPAC name of [3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine (CID 131218756) is [3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine.
What is the SMILES notation for [3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine?
The canonical SMILES for [3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine is CCC1CCN(C2(CN)CSC2)CC1.
What is the InChIKey of [3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine?
The InChIKey is MEIRQERWKNVXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-2-10-3-5-13(6-4-10)11(7-12)8-14-9-11/h10H,2-9,12H2,1H3.
What are the key properties of [3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine?
[3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine has a molecular weight of 214.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine is sourced from PubChem (CID 131218756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).