methyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane

C6H14N2O2S3 — CID 146388974

IUPACmethyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane
SMILESCS(=S)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C6H14N2O2S3/c1-12(11)7-3-5-8(6-4-7)13(2,9)10/h3-6H2,1-2H3
InChIKeyNQEBNUPAIUVMOZ-UHFFFAOYSA-N
MW242.39 g/mol
LogP-0.81
Rot. Bonds2

About methyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane

methyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane (PubChem CID 146388974) has the molecular formula C6H14N2O2S3 and a molecular weight of 242.39 g/mol. Its IUPAC name is methyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namemethyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane
PubChem CID146388974
Molecular FormulaC6H14N2O2S3
Molecular Weight242.39 g/mol
Exact Mass242.02
IUPAC Namemethyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane
SMILESCS(=S)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C6H14N2O2S3/c1-12(11)7-3-5-8(6-4-7)13(2,9)10/h3-6H2,1-2H3
InChIKeyNQEBNUPAIUVMOZ-UHFFFAOYSA-N
XLogP-0.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane?
The IUPAC name of methyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane (CID 146388974) is methyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane.
What is the SMILES notation for methyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane?
The canonical SMILES for methyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane is CS(=S)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of methyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane?
The InChIKey is NQEBNUPAIUVMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S3/c1-12(11)7-3-5-8(6-4-7)13(2,9)10/h3-6H2,1-2H3.
What are the key properties of methyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane?
methyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane has a molecular weight of 242.39 g/mol, XLogP of -0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-methylsulfonylpiperazin-1-yl)-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 146388974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).