3-methyl-1-(oxan-4-ylsulfonyl)piperazine

C10H20N2O3S — CID 65448066

IUPAC3-methyl-1-(oxan-4-ylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)C2CCOCC2)CCN1
InChIInChI=1S/C10H20N2O3S/c1-9-8-12(5-4-11-9)16(13,14)10-2-6-15-7-3-10/h9-11H,2-8H2,1H3
InChIKeyZFTWVFYBGWDHTG-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.21
Rot. Bonds2

About 3-methyl-1-(oxan-4-ylsulfonyl)piperazine

3-methyl-1-(oxan-4-ylsulfonyl)piperazine (PubChem CID 65448066) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-ylsulfonyl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-ylsulfonyl)piperazine
PubChem CID65448066
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-methyl-1-(oxan-4-ylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)C2CCOCC2)CCN1
InChIInChI=1S/C10H20N2O3S/c1-9-8-12(5-4-11-9)16(13,14)10-2-6-15-7-3-10/h9-11H,2-8H2,1H3
InChIKeyZFTWVFYBGWDHTG-UHFFFAOYSA-N
XLogP-0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-ylsulfonyl)piperazine?
The IUPAC name of 3-methyl-1-(oxan-4-ylsulfonyl)piperazine (CID 65448066) is 3-methyl-1-(oxan-4-ylsulfonyl)piperazine.
What is the SMILES notation for 3-methyl-1-(oxan-4-ylsulfonyl)piperazine?
The canonical SMILES for 3-methyl-1-(oxan-4-ylsulfonyl)piperazine is CC1CN(S(=O)(=O)C2CCOCC2)CCN1.
What is the InChIKey of 3-methyl-1-(oxan-4-ylsulfonyl)piperazine?
The InChIKey is ZFTWVFYBGWDHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-9-8-12(5-4-11-9)16(13,14)10-2-6-15-7-3-10/h9-11H,2-8H2,1H3.
What are the key properties of 3-methyl-1-(oxan-4-ylsulfonyl)piperazine?
3-methyl-1-(oxan-4-ylsulfonyl)piperazine has a molecular weight of 248.35 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-ylsulfonyl)piperazine is sourced from PubChem (CID 65448066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).