2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine

C12H24N2S — CID 83007392

IUPAC2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine
SMILESCC1CC(NN2C(C)CCCC2C)CS1
InChIInChI=1S/C12H24N2S/c1-9-5-4-6-10(2)14(9)13-12-7-11(3)15-8-12/h9-13H,4-8H2,1-3H3
InChIKeyMQHZMDIDKDQNEO-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.65
Rot. Bonds2

About 2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine

2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine (PubChem CID 83007392) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine
PubChem CID83007392
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine
SMILESCC1CC(NN2C(C)CCCC2C)CS1
InChIInChI=1S/C12H24N2S/c1-9-5-4-6-10(2)14(9)13-12-7-11(3)15-8-12/h9-13H,4-8H2,1-3H3
InChIKeyMQHZMDIDKDQNEO-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine (CID 83007392) is 2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine is CC1CC(NN2C(C)CCCC2C)CS1.
What is the InChIKey of 2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine?
The InChIKey is MQHZMDIDKDQNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-9-5-4-6-10(2)14(9)13-12-7-11(3)15-8-12/h9-13H,4-8H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine?
2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine has a molecular weight of 228.40 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(5-methylthiolan-3-yl)piperidin-1-amine is sourced from PubChem (CID 83007392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).