1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine

C11H22N2O4S — CID 66472524

IUPAC1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(CCC2OCCCO2)CC1
InChIInChI=1S/C11H22N2O4S/c1-18(14,15)13-7-5-12(6-8-13)4-3-11-16-9-2-10-17-11/h11H,2-10H2,1H3
InChIKeyKPULDQNHHLLYRP-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.28
Rot. Bonds4

About 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine

1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine (PubChem CID 66472524) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine
PubChem CID66472524
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(CCC2OCCCO2)CC1
InChIInChI=1S/C11H22N2O4S/c1-18(14,15)13-7-5-12(6-8-13)4-3-11-16-9-2-10-17-11/h11H,2-10H2,1H3
InChIKeyKPULDQNHHLLYRP-UHFFFAOYSA-N
XLogP-0.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine (CID 66472524) is 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(CCC2OCCCO2)CC1.
What is the InChIKey of 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine?
The InChIKey is KPULDQNHHLLYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-18(14,15)13-7-5-12(6-8-13)4-3-11-16-9-2-10-17-11/h11H,2-10H2,1H3.
What are the key properties of 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine?
1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine has a molecular weight of 278.37 g/mol, XLogP of -0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 66472524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).