2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine

C12H24N2S — CID 80586714

IUPAC2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine
SMILESCC1CNC(C)(C)CN1CC1CCCS1
InChIInChI=1S/C12H24N2S/c1-10-7-13-12(2,3)9-14(10)8-11-5-4-6-15-11/h10-11,13H,4-9H2,1-3H3
InChIKeyNRINPUBMVKTKKV-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.95
Rot. Bonds2

About 2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine

2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine (PubChem CID 80586714) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine
PubChem CID80586714
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine
SMILESCC1CNC(C)(C)CN1CC1CCCS1
InChIInChI=1S/C12H24N2S/c1-10-7-13-12(2,3)9-14(10)8-11-5-4-6-15-11/h10-11,13H,4-9H2,1-3H3
InChIKeyNRINPUBMVKTKKV-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)-2,5,5-trimethylpiperazine
CID 64934999
1-(cyclopropylmethyl)-2,5,5-trimethylpiperazine
CID 64840059
2,5,5-trimethyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
CID 80724680
2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 64947488
1-(3-ethoxypropyl)-2,5,5-trimethylpiperazine
CID 64931860
1-(2-butoxyethyl)-2,5,5-trimethylpiperazine
CID 64840639
3-[(2,5,5-trimethylpiperazin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 79077121
2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64840444
2,5,5-trimethyl-1-(6-methylsulfanylhexyl)piperazine
CID 114124990
2,5,5-trimethyl-1-pent-4-ynylpiperazine
CID 106221984
1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine
CID 65491363
2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 64946588

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine?
The IUPAC name of 2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine (CID 80586714) is 2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine.
What is the SMILES notation for 2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine?
The canonical SMILES for 2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine is CC1CNC(C)(C)CN1CC1CCCS1.
What is the InChIKey of 2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine?
The InChIKey is NRINPUBMVKTKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10-7-13-12(2,3)9-14(10)8-11-5-4-6-15-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine?
2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine has a molecular weight of 228.40 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-(thiolan-2-ylmethyl)piperazine is sourced from PubChem (CID 80586714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).