methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine

C10H25ClN4O4S2 — CID 158662446

IUPACmethanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine
SMILESC1CNCCN1.CS(=O)(=O)Cl.CS(=O)(=O)N1CCNCC1
InChIInChI=1S/C5H12N2O2S.C4H10N2.CH3ClO2S/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
InChIKeyICXPVIFXWOQXMO-UHFFFAOYSA-N
MW364.92 g/mol
LogP-1.78
Rot. Bonds1

About methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine

methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine (PubChem CID 158662446) has the molecular formula C10H25ClN4O4S2 and a molecular weight of 364.92 g/mol. Its IUPAC name is methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine.

Molecular Properties

Compound Namemethanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine
PubChem CID158662446
Molecular FormulaC10H25ClN4O4S2
Molecular Weight364.92 g/mol
Exact Mass364.10
IUPAC Namemethanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine
SMILESC1CNCCN1.CS(=O)(=O)Cl.CS(=O)(=O)N1CCNCC1
InChIInChI=1S/C5H12N2O2S.C4H10N2.CH3ClO2S/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
InChIKeyICXPVIFXWOQXMO-UHFFFAOYSA-N
XLogP-1.78
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine?
The IUPAC name of methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine (CID 158662446) is methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine.
What is the SMILES notation for methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine?
The canonical SMILES for methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine is C1CNCCN1.CS(=O)(=O)Cl.CS(=O)(=O)N1CCNCC1.
What is the InChIKey of methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine?
The InChIKey is ICXPVIFXWOQXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S.C4H10N2.CH3ClO2S/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.
What are the key properties of methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine?
methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine has a molecular weight of 364.92 g/mol, XLogP of -1.78, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonyl chloride;1-methylsulfonylpiperazine;piperazine is sourced from PubChem (CID 158662446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).