2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine

C15H30N2S — CID 79946802

IUPAC2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(C2CSCC(C)(C)C2)CC1
InChIInChI=1S/C15H30N2S/c1-15(2)10-14(11-18-12-15)17-8-5-13(6-9-17)4-7-16-3/h13-14,16H,4-12H2,1-3H3
InChIKeyLNFFMGAFAWGSNK-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.84
Rot. Bonds4

About 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine

2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine (PubChem CID 79946802) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine
PubChem CID79946802
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(C2CSCC(C)(C)C2)CC1
InChIInChI=1S/C15H30N2S/c1-15(2)10-14(11-18-12-15)17-8-5-13(6-9-17)4-7-16-3/h13-14,16H,4-12H2,1-3H3
InChIKeyLNFFMGAFAWGSNK-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine (CID 79946802) is 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine is CNCCC1CCN(C2CSCC(C)(C)C2)CC1.
What is the InChIKey of 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine?
The InChIKey is LNFFMGAFAWGSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-15(2)10-14(11-18-12-15)17-8-5-13(6-9-17)4-7-16-3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine?
2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine has a molecular weight of 270.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 79946802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).