3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine

C11H22N2S — CID 80730109

IUPAC3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
SMILESCC1CN(CC2(C)CCCS2)CCN1
InChIInChI=1S/C11H22N2S/c1-10-8-13(6-5-12-10)9-11(2)4-3-7-14-11/h10,12H,3-9H2,1-2H3
InChIKeyDKTPZMUCRYGAQD-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.57
Rot. Bonds2

About 3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine

3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine (PubChem CID 80730109) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
PubChem CID80730109
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
SMILESCC1CN(CC2(C)CCCS2)CCN1
InChIInChI=1S/C11H22N2S/c1-10-8-13(6-5-12-10)9-11(2)4-3-7-14-11/h10,12H,3-9H2,1-2H3
InChIKeyDKTPZMUCRYGAQD-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
CID 80725158
1-[(2-methylthiolan-2-yl)methyl]-3-phenylpiperazine
CID 80731277
1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine
CID 80724945
3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine
CID 130854730
3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505388
3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
CID 79351237
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine
CID 80725162
2,5,5-trimethyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
CID 80724680
(3R)-1-(cyclobutylmethyl)-3-methylpiperazine
CID 104975501
5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
CID 80730112
1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 80730419

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
The IUPAC name of 3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine (CID 80730109) is 3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine.
What is the SMILES notation for 3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
The canonical SMILES for 3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine is CC1CN(CC2(C)CCCS2)CCN1.
What is the InChIKey of 3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
The InChIKey is DKTPZMUCRYGAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-10-8-13(6-5-12-10)9-11(2)4-3-7-14-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine has a molecular weight of 214.38 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine is sourced from PubChem (CID 80730109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).