3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine

C11H22N2S — CID 131008275

IUPAC3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine
SMILESCC1CSCC1N1CCNC(C)(C)C1
InChIInChI=1S/C11H22N2S/c1-9-6-14-7-10(9)13-5-4-12-11(2,3)8-13/h9-10,12H,4-8H2,1-3H3
InChIKeyRPUSWVSRAVNXAP-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.42
Rot. Bonds1

About 3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine

3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine (PubChem CID 131008275) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine
PubChem CID131008275
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine
SMILESCC1CSCC1N1CCNC(C)(C)C1
InChIInChI=1S/C11H22N2S/c1-9-6-14-7-10(9)13-5-4-12-11(2,3)8-13/h9-10,12H,4-8H2,1-3H3
InChIKeyRPUSWVSRAVNXAP-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3-methyl-1-(2-methylcyclopentyl)piperazine
CID 64952203
3-cyclopropyl-3-methyl-1-(2-methylcyclopentyl)piperazine
CID 64952405
1-(2,4-dimethylcyclohexyl)-3-ethyl-3-methylpiperazine
CID 64953433
(3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130679550
2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 82993713
1-cycloheptyl-3,3-dimethyl-1,4-diazepane
CID 64944315
3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine
CID 131198222
3,3-dimethyl-1-[(2-methylcyclopentyl)methyl]piperazine
CID 107420912
1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine
CID 64924229
(3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 81462888
(8S)-5,5,7,8-tetramethyl-1,4-thiazocane
CID 142372486
(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone
CID 79507271

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine?
The IUPAC name of 3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine (CID 131008275) is 3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine.
What is the SMILES notation for 3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine?
The canonical SMILES for 3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine is CC1CSCC1N1CCNC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine?
The InChIKey is RPUSWVSRAVNXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9-6-14-7-10(9)13-5-4-12-11(2,3)8-13/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine?
3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine has a molecular weight of 214.38 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methylthiolan-3-yl)piperazine is sourced from PubChem (CID 131008275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).