[4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane

C12H26N2OS2 — CID 176753366

IUPAC[4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane
SMILESCC(CC(C)(C)C)N1CCN(S(C)(=O)=S)CC1
InChIInChI=1S/C12H26N2OS2/c1-11(10-12(2,3)4)13-6-8-14(9-7-13)17(5,15)16/h11H,6-10H2,1-5H3
InChIKeyZTKQBXHZNMDKGZ-UHFFFAOYSA-N
MW278.49 g/mol
LogP1.72
Rot. Bonds3

About [4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane

[4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane (PubChem CID 176753366) has the molecular formula C12H26N2OS2 and a molecular weight of 278.49 g/mol. Its IUPAC name is [4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Name[4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane
PubChem CID176753366
Molecular FormulaC12H26N2OS2
Molecular Weight278.49 g/mol
Exact Mass278.15
IUPAC Name[4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane
SMILESCC(CC(C)(C)C)N1CCN(S(C)(=O)=S)CC1
InChIInChI=1S/C12H26N2OS2/c1-11(10-12(2,3)4)13-6-8-14(9-7-13)17(5,15)16/h11H,6-10H2,1-5H3
InChIKeyZTKQBXHZNMDKGZ-UHFFFAOYSA-N
XLogP1.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.49
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-dimethylpentan-2-yl)azepane
CID 130352451
4-butan-2-ylpiperazine-1-sulfonamide
CID 112692809
3-(4-methylsulfonylpiperazin-1-yl)butanoic acid
CID 62993470
1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine
CID 130440722
1-butan-2-yl-4-(chloromethylsulfonyl)piperazine
CID 63664982
methyl 3-(4-methylsulfonylpiperazin-1-yl)butanoate
CID 62993471
ethyl 3-(4-methylsulfonylpiperazin-1-yl)butanoate
CID 62993635
1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine
CID 130440602
1-butan-2-yl-4-cyclobutylsulfonylpiperazine
CID 130440353
2-amino-4-(4-butan-2-ylpiperazin-1-yl)-2-methylpentanoic acid
CID 64703146
5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 62775754
4-(azepan-1-yl)-2-methylpentan-2-ol
CID 130905448

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of [4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane (CID 176753366) is [4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for [4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for [4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane is CC(CC(C)(C)C)N1CCN(S(C)(=O)=S)CC1.
What is the InChIKey of [4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is ZTKQBXHZNMDKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS2/c1-11(10-12(2,3)4)13-6-8-14(9-7-13)17(5,15)16/h11H,6-10H2,1-5H3.
What are the key properties of [4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane?
[4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 278.49 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethylpentan-2-yl)piperazin-1-yl]-methyl-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 176753366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).