5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine

C12H26N2S — CID 64941038

IUPAC5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
SMILESCSCCN1CC(C)(C)NCC1C(C)C
InChIInChI=1S/C12H26N2S/c1-10(2)11-8-13-12(3,4)9-14(11)6-7-15-5/h10-11,13H,6-9H2,1-5H3
InChIKeyBYSAWRXELFKITL-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.06
Rot. Bonds4

About 5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine

5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine (PubChem CID 64941038) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
PubChem CID64941038
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
SMILESCSCCN1CC(C)(C)NCC1C(C)C
InChIInChI=1S/C12H26N2S/c1-10(2)11-8-13-12(3,4)9-14(11)6-7-15-5/h10-11,13H,6-9H2,1-5H3
InChIKeyBYSAWRXELFKITL-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-[(2R)-2-amino-3-methylbutyl]thiomorpholine-3-carbonitrile
CID 91351827
3-Aminomethyl-2-methyl-3-athyl-thiomorpholin
CID 110192120
5,5-Dimethyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 113545376
2-Cyclopropyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 113545377
2-Ethyl-2,5,5-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 113545378
2,5-Diethyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 113545379
5-Ethyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 113545383
5-Ethyl-2,2,5-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 113545384
3-Propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 116627368
3-Ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 116627372
2-Methyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 116627379
2-Ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 116627380

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine (CID 64941038) is 5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine is CSCCN1CC(C)(C)NCC1C(C)C.
What is the InChIKey of 5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine?
The InChIKey is BYSAWRXELFKITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-10(2)11-8-13-12(3,4)9-14(11)6-7-15-5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine?
5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine has a molecular weight of 230.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64941038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).