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

C14H28N2S — CID 79946619

IUPAC2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine
SMILESCC1(C)CSCC(N2CCC(CCN)CC2)C1
InChIInChI=1S/C14H28N2S/c1-14(2)9-13(10-17-11-14)16-7-4-12(3-6-15)5-8-16/h12-13H,3-11,15H2,1-2H3
InChIKeyJOVOIAAIAZWECH-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.58
Rot. Bonds3

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

2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine (PubChem CID 79946619) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine
PubChem CID79946619
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine
SMILESCC1(C)CSCC(N2CCC(CCN)CC2)C1
InChIInChI=1S/C14H28N2S/c1-14(2)9-13(10-17-11-14)16-7-4-12(3-6-15)5-8-16/h12-13H,3-11,15H2,1-2H3
InChIKeyJOVOIAAIAZWECH-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine
CID 79946802
N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine
CID 80551433
[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine
CID 112682529
N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide
CID 79946528
[1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine
CID 79946530
2-[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]ethanamine
CID 79926978
2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine
CID 112682550
2-[4-(5,5-dimethylthian-3-yl)piperazin-1-yl]propanoic acid
CID 79946405
2-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]ethanamine
CID 79862499
1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 114239065
2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine
CID 65089032
[1-(thian-3-yl)piperidin-4-yl]methanamine
CID 62873474

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine (CID 79946619) is 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine is CC1(C)CSCC(N2CCC(CCN)CC2)C1.
What is the InChIKey of 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine?
The InChIKey is JOVOIAAIAZWECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-14(2)9-13(10-17-11-14)16-7-4-12(3-6-15)5-8-16/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine?
2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine has a molecular weight of 256.46 g/mol, XLogP of 2.58, 3 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]ethanamine is sourced from PubChem (CID 79946619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).