1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine

C12H24N2O3S — CID 155367093

IUPAC1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine
SMILESCC1CCC(CN2CCN(S(C)(=O)=O)CC2)OC1
InChIInChI=1S/C12H24N2O3S/c1-11-3-4-12(17-10-11)9-13-5-7-14(8-6-13)18(2,15)16/h11-12H,3-10H2,1-2H3
InChIKeyDMFFCIDIGDARRV-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.38
Rot. Bonds3

About 1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine

1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine (PubChem CID 155367093) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine
PubChem CID155367093
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine
SMILESCC1CCC(CN2CCN(S(C)(=O)=O)CC2)OC1
InChIInChI=1S/C12H24N2O3S/c1-11-3-4-12(17-10-11)9-13-5-7-14(8-6-13)18(2,15)16/h11-12H,3-10H2,1-2H3
InChIKeyDMFFCIDIGDARRV-UHFFFAOYSA-N
XLogP0.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine (CID 155367093) is 1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine is CC1CCC(CN2CCN(S(C)(=O)=O)CC2)OC1.
What is the InChIKey of 1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine?
The InChIKey is DMFFCIDIGDARRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-11-3-4-12(17-10-11)9-13-5-7-14(8-6-13)18(2,15)16/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine?
1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine has a molecular weight of 276.40 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 155367093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).