[1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine

C14H28N2S — CID 79946530

IUPAC[1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1C1CSCC(C)(C)C1
InChIInChI=1S/C14H28N2S/c1-11-4-5-12(7-15)8-16(11)13-6-14(2,3)10-17-9-13/h11-13H,4-10,15H2,1-3H3
InChIKeyKNQIIKBBFSYBIF-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.58
Rot. Bonds2

About [1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine

[1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine (PubChem CID 79946530) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is [1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine
PubChem CID79946530
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name[1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1C1CSCC(C)(C)C1
InChIInChI=1S/C14H28N2S/c1-11-4-5-12(7-15)8-16(11)13-6-14(2,3)10-17-9-13/h11-13H,4-10,15H2,1-3H3
InChIKeyKNQIIKBBFSYBIF-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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]ethanamine
CID 79946619
[1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine
CID 105365573
N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine
CID 80551433
2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine
CID 79946802
3-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]cyclobutan-1-amine
CID 130663186
N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide
CID 79946528
1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-2-(thian-4-yl)ethanone
CID 83137149
1-(5,5-dimethylthian-3-yl)-2-pyrrolidin-2-ylpiperidine
CID 79946618
[1-(3,3-dimethylcyclopentyl)piperidin-3-yl]methanamine
CID 80699912
[1-amino-3-(5-ethyl-2-methylpiperidin-1-yl)cyclopentyl]methanol
CID 112734609
[6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine
CID 62387329
[6-methyl-1-(2-methylbutyl)piperidin-3-yl]methanamine
CID 62105869

Frequently Asked Questions

What is the IUPAC name of [1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine (CID 79946530) is [1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine is CC1CCC(CN)CN1C1CSCC(C)(C)C1.
What is the InChIKey of [1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine?
The InChIKey is KNQIIKBBFSYBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-11-4-5-12(7-15)8-16(11)13-6-14(2,3)10-17-9-13/h11-13H,4-10,15H2,1-3H3.
What are the key properties of [1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine?
[1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine has a molecular weight of 256.46 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,5-dimethylthian-3-yl)-6-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 79946530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).