1-cyclopropylsulfonyl-4-methylpiperazine

C8H16N2O2S — CID 59576558

IUPAC1-cyclopropylsulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C8H16N2O2S/c1-9-4-6-10(7-5-9)13(11,12)8-2-3-8/h8H,2-7H2,1H3
InChIKeyZUYKPEOQYGDSJK-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.27
Rot. Bonds2

About 1-cyclopropylsulfonyl-4-methylpiperazine

1-cyclopropylsulfonyl-4-methylpiperazine (PubChem CID 59576558) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-methylpiperazine
PubChem CID59576558
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name1-cyclopropylsulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C8H16N2O2S/c1-9-4-6-10(7-5-9)13(11,12)8-2-3-8/h8H,2-7H2,1H3
InChIKeyZUYKPEOQYGDSJK-UHFFFAOYSA-N
XLogP-0.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-methylpiperazine?
The IUPAC name of 1-cyclopropylsulfonyl-4-methylpiperazine (CID 59576558) is 1-cyclopropylsulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-methylpiperazine?
The canonical SMILES for 1-cyclopropylsulfonyl-4-methylpiperazine is CN1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-methylpiperazine?
The InChIKey is ZUYKPEOQYGDSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-9-4-6-10(7-5-9)13(11,12)8-2-3-8/h8H,2-7H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-4-methylpiperazine?
1-cyclopropylsulfonyl-4-methylpiperazine has a molecular weight of 204.29 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-methylpiperazine is sourced from PubChem (CID 59576558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).