[3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine

C12H24N2S — CID 24694609

IUPAC[3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine
SMILESCC1CC(C)CN(C2(CN)CCSC2)C1
InChIInChI=1S/C12H24N2S/c1-10-5-11(2)7-14(6-10)12(8-13)3-4-15-9-12/h10-11H,3-9,13H2,1-2H3
InChIKeyLBJDKGPQPUTSTD-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.80
Rot. Bonds2

About [3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine

[3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine (PubChem CID 24694609) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is [3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine
PubChem CID24694609
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name[3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine
SMILESCC1CC(C)CN(C2(CN)CCSC2)C1
InChIInChI=1S/C12H24N2S/c1-10-5-11(2)7-14(6-10)12(8-13)3-4-15-9-12/h10-11H,3-9,13H2,1-2H3
InChIKeyLBJDKGPQPUTSTD-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 79949744
[2-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 108424065
3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 114996952
2-(2-Ethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535428
9-Tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245057
4-Tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245165
2-(Thiolan-3-yl)piperazine
CID 131967174
1-Tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine
CID 134582849
8-Methyl-1-thia-8-azaspiro[4.5]decan-4-amine
CID 135228318
5-Methylpiperidin-3-amine;thiolane
CID 153331161
3-Methyl-5-(thiolan-1-ylideneamino)piperidine
CID 155755200
N-methyl-2-piperidin-3-yl-1,3-thiazolidin-5-amine
CID 163745786

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine?
The IUPAC name of [3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine (CID 24694609) is [3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine is CC1CC(C)CN(C2(CN)CCSC2)C1.
What is the InChIKey of [3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine?
The InChIKey is LBJDKGPQPUTSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10-5-11(2)7-14(6-10)12(8-13)3-4-15-9-12/h10-11H,3-9,13H2,1-2H3.
What are the key properties of [3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine?
[3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine has a molecular weight of 228.40 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylpiperidin-1-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 24694609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).