2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

C14H28N2O2S — CID 81039834

IUPAC2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCC(C)C1CNC(C)(C)CN1CC1CCCS1(=O)=O
InChIInChI=1S/C14H28N2O2S/c1-11(2)13-8-15-14(3,4)10-16(13)9-12-6-5-7-19(12,17)18/h11-13,15H,5-10H2,1-4H3
InChIKeyMTBNGNAOVYKOLU-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.27
Rot. Bonds3

About 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (PubChem CID 81039834) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
PubChem CID81039834
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCC(C)C1CNC(C)(C)CN1CC1CCCS1(=O)=O
InChIInChI=1S/C14H28N2O2S/c1-11(2)13-8-15-14(3,4)10-16(13)9-12-6-5-7-19(12,17)18/h11-13,15H,5-10H2,1-4H3
InChIKeyMTBNGNAOVYKOLU-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947362
1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840273
2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 81040229
1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 65097482
5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64941038
1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 82924761
(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine
CID 94982663
5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine
CID 113490892
5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
CID 64941846
2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 81039917
1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone
CID 82241179
1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 103414152

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (CID 81039834) is 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is CC(C)C1CNC(C)(C)CN1CC1CCCS1(=O)=O.
What is the InChIKey of 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is MTBNGNAOVYKOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-11(2)13-8-15-14(3,4)10-16(13)9-12-6-5-7-19(12,17)18/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 288.46 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 81039834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).