methane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine

C11H29ClN4O4S2 — CID 158291598

IUPACmethane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine
SMILESC.C1CNCCN1.CS(=O)(=O)Cl.CS(=O)(=O)N1CCNCC1
InChIInChI=1S/C5H12N2O2S.C4H10N2.CH3ClO2S.CH4/c1-10(8,9)7-4-2-6-3-5-7;1-2-6-4-3-5-1;1-5(2,3)4;/h6H,2-5H2,1H3;5-6H,1-4H2;1H3;1H4
InChIKeyGLKQHSAEUBPJIT-UHFFFAOYSA-N
MW380.96 g/mol
LogP-1.15
Rot. Bonds1

About methane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine

methane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine (PubChem CID 158291598) has the molecular formula C11H29ClN4O4S2 and a molecular weight of 380.96 g/mol. Its IUPAC name is methane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine.

Molecular Properties

Compound Namemethane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine
PubChem CID158291598
Molecular FormulaC11H29ClN4O4S2
Molecular Weight380.96 g/mol
Exact Mass380.13
IUPAC Namemethane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine
SMILESC.C1CNCCN1.CS(=O)(=O)Cl.CS(=O)(=O)N1CCNCC1
InChIInChI=1S/C5H12N2O2S.C4H10N2.CH3ClO2S.CH4/c1-10(8,9)7-4-2-6-3-5-7;1-2-6-4-3-5-1;1-5(2,3)4;/h6H,2-5H2,1H3;5-6H,1-4H2;1H3;1H4
InChIKeyGLKQHSAEUBPJIT-UHFFFAOYSA-N
XLogP-1.15
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.96
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine?
The IUPAC name of methane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine (CID 158291598) is methane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine.
What is the SMILES notation for methane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine?
The canonical SMILES for methane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine is C.C1CNCCN1.CS(=O)(=O)Cl.CS(=O)(=O)N1CCNCC1.
What is the InChIKey of methane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine?
The InChIKey is GLKQHSAEUBPJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S.C4H10N2.CH3ClO2S.CH4/c1-10(8,9)7-4-2-6-3-5-7;1-2-6-4-3-5-1;1-5(2,3)4;/h6H,2-5H2,1H3;5-6H,1-4H2;1H3;1H4.
What are the key properties of methane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine?
methane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine has a molecular weight of 380.96 g/mol, XLogP of -1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine is sourced from PubChem (CID 158291598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).