(5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine

C11H22N2S — CID 79950099

IUPAC(5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine
SMILESCC1CC(CN)(N2CCCCC2)CS1
InChIInChI=1S/C11H22N2S/c1-10-7-11(8-12,9-14-10)13-5-3-2-4-6-13/h10H,2-9,12H2,1H3
InChIKeyKFOMLINIJXWQBE-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.70
Rot. Bonds2

About (5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine

(5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine (PubChem CID 79950099) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is (5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine
PubChem CID79950099
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name(5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine
SMILESCC1CC(CN)(N2CCCCC2)CS1
InChIInChI=1S/C11H22N2S/c1-10-7-11(8-12,9-14-10)13-5-3-2-4-6-13/h10H,2-9,12H2,1H3
InChIKeyKFOMLINIJXWQBE-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine?
The IUPAC name of (5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine (CID 79950099) is (5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine.
What is the SMILES notation for (5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine?
The canonical SMILES for (5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine is CC1CC(CN)(N2CCCCC2)CS1.
What is the InChIKey of (5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine?
The InChIKey is KFOMLINIJXWQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-10-7-11(8-12,9-14-10)13-5-3-2-4-6-13/h10H,2-9,12H2,1H3.
What are the key properties of (5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine?
(5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine has a molecular weight of 214.38 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-piperidin-1-ylthiolan-3-yl)methanamine is sourced from PubChem (CID 79950099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).