3-tert-butyl-1-(thiolan-3-yl)piperazine

C12H24N2S — CID 103065002

IUPAC3-tert-butyl-1-(thiolan-3-yl)piperazine
SMILESCC(C)(C)C1CN(C2CCSC2)CCN1
InChIInChI=1S/C12H24N2S/c1-12(2,3)11-8-14(6-5-13-11)10-4-7-15-9-10/h10-11,13H,4-9H2,1-3H3
InChIKeyXMFJWRHCMJCNEL-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds1

About 3-tert-butyl-1-(thiolan-3-yl)piperazine

3-tert-butyl-1-(thiolan-3-yl)piperazine (PubChem CID 103065002) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 3-tert-butyl-1-(thiolan-3-yl)piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-(thiolan-3-yl)piperazine
PubChem CID103065002
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name3-tert-butyl-1-(thiolan-3-yl)piperazine
SMILESCC(C)(C)C1CN(C2CCSC2)CCN1
InChIInChI=1S/C12H24N2S/c1-12(2,3)11-8-14(6-5-13-11)10-4-7-15-9-10/h10-11,13H,4-9H2,1-3H3
InChIKeyXMFJWRHCMJCNEL-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-1-(thiolan-3-yl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(thiolan-3-yl)piperazine
CID 65417235
(3S)-3-methyl-1-[(3S)-thian-3-yl]piperazine
CID 124834800
(3R)-3-methyl-1-[(3R)-thian-3-yl]piperazine
CID 96996203
1-[(3R)-thiolan-3-yl]-1,4-diazepane
CID 93464550
(3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 66523127
3-(3-tert-butyl-1,4-diazepan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane
CID 65470541
[1-(thiolan-3-yl)pyrrolidin-3-yl]methanol
CID 103892734
4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane
CID 103892749
4-(thiolan-3-yl)piperazin-1-amine
CID 121201883
3-(3-tert-butyl-1,4-diazepan-1-yl)-1-azabicyclo[2.2.2]octane
CID 64945073
1-cyclopropyl-3-methylpiperazine
CID 64926788
(7S)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazine
CID 82411749

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(thiolan-3-yl)piperazine?
The IUPAC name of 3-tert-butyl-1-(thiolan-3-yl)piperazine (CID 103065002) is 3-tert-butyl-1-(thiolan-3-yl)piperazine.
What is the SMILES notation for 3-tert-butyl-1-(thiolan-3-yl)piperazine?
The canonical SMILES for 3-tert-butyl-1-(thiolan-3-yl)piperazine is CC(C)(C)C1CN(C2CCSC2)CCN1.
What is the InChIKey of 3-tert-butyl-1-(thiolan-3-yl)piperazine?
The InChIKey is XMFJWRHCMJCNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-12(2,3)11-8-14(6-5-13-11)10-4-7-15-9-10/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(thiolan-3-yl)piperazine?
3-tert-butyl-1-(thiolan-3-yl)piperazine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(thiolan-3-yl)piperazine is sourced from PubChem (CID 103065002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).