1-cyclopropylsulfonyl-4-methylsulfonylpiperazine

C8H16N2O4S2 — CID 45497315

IUPAC1-cyclopropylsulfonyl-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C8H16N2O4S2/c1-15(11,12)9-4-6-10(7-5-9)16(13,14)8-2-3-8/h8H,2-7H2,1H3
InChIKeyQYOOSARDRBXEEJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.94
Rot. Bonds3

About 1-cyclopropylsulfonyl-4-methylsulfonylpiperazine

1-cyclopropylsulfonyl-4-methylsulfonylpiperazine (PubChem CID 45497315) has the molecular formula C8H16N2O4S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-methylsulfonylpiperazine
PubChem CID45497315
Molecular FormulaC8H16N2O4S2
Molecular Weight268.36 g/mol
Exact Mass268.06
IUPAC Name1-cyclopropylsulfonyl-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C8H16N2O4S2/c1-15(11,12)9-4-6-10(7-5-9)16(13,14)8-2-3-8/h8H,2-7H2,1H3
InChIKeyQYOOSARDRBXEEJ-UHFFFAOYSA-N
XLogP-0.94
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-methylsulfonylpiperazine?
The IUPAC name of 1-cyclopropylsulfonyl-4-methylsulfonylpiperazine (CID 45497315) is 1-cyclopropylsulfonyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-methylsulfonylpiperazine?
The canonical SMILES for 1-cyclopropylsulfonyl-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-methylsulfonylpiperazine?
The InChIKey is QYOOSARDRBXEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S2/c1-15(11,12)9-4-6-10(7-5-9)16(13,14)8-2-3-8/h8H,2-7H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-4-methylsulfonylpiperazine?
1-cyclopropylsulfonyl-4-methylsulfonylpiperazine has a molecular weight of 268.36 g/mol, XLogP of -0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 45497315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).