3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine

C10H20N2O3S — CID 119981822

IUPAC3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)CC2CCOC2)CCN1
InChIInChI=1S/C10H20N2O3S/c1-9-6-12(4-3-11-9)16(13,14)8-10-2-5-15-7-10/h9-11H,2-8H2,1H3
InChIKeyBKOVXUZVGRIOKV-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.35
Rot. Bonds3

About 3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine

3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine (PubChem CID 119981822) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine
PubChem CID119981822
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)CC2CCOC2)CCN1
InChIInChI=1S/C10H20N2O3S/c1-9-6-12(4-3-11-9)16(13,14)8-10-2-5-15-7-10/h9-11H,2-8H2,1H3
InChIKeyBKOVXUZVGRIOKV-UHFFFAOYSA-N
XLogP-0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-3-ylmethylsulfonyl)-1,4-diazepane;hydrochloride
CID 119963176
1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119959448
(3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120875759
2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol
CID 97217854
3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine
CID 120779200
(3R)-3-methyl-1-(3-methylbutylsulfonyl)piperazine
CID 104975178
(3R)-3-methylpiperazine-1-sulfonyl chloride
CID 167734783
1-[(E)-but-2-enyl]sulfonyl-3-methylpiperazine
CID 131240629
1-[[(2R)-1-methylpiperidin-2-yl]methyl]-4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazine
CID 95322985
sodium oxolan-3-ylmethanesulfonate
CID 23670188
2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine
CID 129000221
[3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 119984742

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine?
The IUPAC name of 3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine (CID 119981822) is 3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine.
What is the SMILES notation for 3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine?
The canonical SMILES for 3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine is CC1CN(S(=O)(=O)CC2CCOC2)CCN1.
What is the InChIKey of 3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine?
The InChIKey is BKOVXUZVGRIOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-9-6-12(4-3-11-9)16(13,14)8-10-2-5-15-7-10/h9-11H,2-8H2,1H3.
What are the key properties of 3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine?
3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine has a molecular weight of 248.35 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine is sourced from PubChem (CID 119981822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).