(2R)-2-methyl-1-(thiolan-3-yl)piperazine

C9H18N2S — CID 130780057

IUPAC(2R)-2-methyl-1-(thiolan-3-yl)piperazine
SMILESC[C@@H]1CNCCN1C1CCSC1
InChIInChI=1S/C9H18N2S/c1-8-6-10-3-4-11(8)9-2-5-12-7-9/h8-10H,2-7H2,1H3/t8-,9?/m1/s1
InChIKeyIKAVHMHMUARPPE-VEDVMXKPSA-N
MW186.32 g/mol
LogP0.79
Rot. Bonds1

About (2R)-2-methyl-1-(thiolan-3-yl)piperazine

(2R)-2-methyl-1-(thiolan-3-yl)piperazine (PubChem CID 130780057) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is (2R)-2-methyl-1-(thiolan-3-yl)piperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-(thiolan-3-yl)piperazine
PubChem CID130780057
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name(2R)-2-methyl-1-(thiolan-3-yl)piperazine
SMILESC[C@@H]1CNCCN1C1CCSC1
InChIInChI=1S/C9H18N2S/c1-8-6-10-3-4-11(8)9-2-5-12-7-9/h8-10H,2-7H2,1H3/t8-,9?/m1/s1
InChIKeyIKAVHMHMUARPPE-VEDVMXKPSA-N
XLogP0.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride
CID 165469299
(2R)-1-cyclopentyl-2-methylpiperazine
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CID 53399295
(2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride
CID 130763014
(2S)-2-methyl-1-(3-methylcyclopentyl)piperazine;hydrochloride
CID 131203778
[(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone
CID 82756247
(2R)-2-methyl-1-(oxan-3-yl)piperazine
CID 104973743
2,6-dimethyl-1-(thian-4-yl)piperazine
CID 130639744
ethane;5-methyl-2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-d][1,4]diazepine
CID 176948108
1-[(3R)-thiolan-3-yl]-1,4-diazepane
CID 93464550
3-methyl-1-(thiolan-3-yl)piperazine
CID 65417235
1-(2,4-dimethylcyclohexyl)-2-methylpiperazine
CID 64932132

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(thiolan-3-yl)piperazine?
The IUPAC name of (2R)-2-methyl-1-(thiolan-3-yl)piperazine (CID 130780057) is (2R)-2-methyl-1-(thiolan-3-yl)piperazine.
What is the SMILES notation for (2R)-2-methyl-1-(thiolan-3-yl)piperazine?
The canonical SMILES for (2R)-2-methyl-1-(thiolan-3-yl)piperazine is C[C@@H]1CNCCN1C1CCSC1.
What is the InChIKey of (2R)-2-methyl-1-(thiolan-3-yl)piperazine?
The InChIKey is IKAVHMHMUARPPE-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H18N2S/c1-8-6-10-3-4-11(8)9-2-5-12-7-9/h8-10H,2-7H2,1H3/t8-,9?/m1/s1.
What are the key properties of (2R)-2-methyl-1-(thiolan-3-yl)piperazine?
(2R)-2-methyl-1-(thiolan-3-yl)piperazine has a molecular weight of 186.32 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(thiolan-3-yl)piperazine is sourced from PubChem (CID 130780057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).