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

C13H24N2S — CID 80725158

IUPAC3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
SMILESCC1(CN2CCNC(C3CC3)C2)CCCS1
InChIInChI=1S/C13H24N2S/c1-13(5-2-8-16-13)10-15-7-6-14-12(9-15)11-3-4-11/h11-12,14H,2-10H2,1H3
InChIKeyOWSFARVTNHIKMZ-UHFFFAOYSA-N
MW240.42 g/mol
LogP1.96
Rot. Bonds3

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

3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine (PubChem CID 80725158) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
PubChem CID80725158
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
SMILESCC1(CN2CCNC(C3CC3)C2)CCCS1
InChIInChI=1S/C13H24N2S/c1-13(5-2-8-16-13)10-15-7-6-14-12(9-15)11-3-4-11/h11-12,14H,2-10H2,1H3
InChIKeyOWSFARVTNHIKMZ-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
CID 80730109
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-cyclopropyl-1-(3-methylbutyl)piperazine
CID 64834609
3-cyclopropyl-1-octylpiperazine
CID 64833415
1-(2-cyclohexyloxyethyl)-3-cyclopropylpiperazine
CID 64953422
3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane
CID 64943808
1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine
CID 80725162
3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine
CID 64952742
3-cyclohexyl-1-(5-methylhexyl)piperazine
CID 115327049
3-cyclopropyl-1-(2-ethylhexyl)piperazine
CID 64833817
3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine
CID 64952444

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
The IUPAC name of 3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine (CID 80725158) is 3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine.
What is the SMILES notation for 3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
The canonical SMILES for 3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine is CC1(CN2CCNC(C3CC3)C2)CCCS1.
What is the InChIKey of 3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
The InChIKey is OWSFARVTNHIKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-13(5-2-8-16-13)10-15-7-6-14-12(9-15)11-3-4-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine?
3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine has a molecular weight of 240.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine is sourced from PubChem (CID 80725158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).