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

C10H20N2O3S — CID 63239741

IUPAC1-methyl-4-(oxan-4-ylsulfonyl)piperazine
SMILESCN1CCN(S(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C10H20N2O3S/c1-11-4-6-12(7-5-11)16(13,14)10-2-8-15-9-3-10/h10H,2-9H2,1H3
InChIKeyQAKDYXHHMPAZGS-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.26
Rot. Bonds2

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

1-methyl-4-(oxan-4-ylsulfonyl)piperazine (PubChem CID 63239741) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-methyl-4-(oxan-4-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(oxan-4-ylsulfonyl)piperazine
PubChem CID63239741
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name1-methyl-4-(oxan-4-ylsulfonyl)piperazine
SMILESCN1CCN(S(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C10H20N2O3S/c1-11-4-6-12(7-5-11)16(13,14)10-2-8-15-9-3-10/h10H,2-9H2,1H3
InChIKeyQAKDYXHHMPAZGS-UHFFFAOYSA-N
XLogP-0.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methyl-1-(oxan-4-yl)methanesulfonamide
CID 71860312
1-(Oxan-4-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine
CID 71977819
1-(oxan-4-ylsulfonyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazine
CID 97592875
1-(oxan-4-ylsulfonyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine
CID 97592876
(2R)-2-methyl-4-(oxan-4-yl)-1-(3,3,3-trifluoropropylsulfonyl)piperazine
CID 137843184
1-(Oxan-4-ylsulfonyl)-4-propyl-1,4-diazepane
CID 56806391
1-(2-Methoxyethylsulfonyl)-4-methylpiperazine
CID 61694050
1-[(Tetrahydro-2H-pyran-4-yl)sulfonyl]piperazine
CID 62050105
1-(3-Methoxypropylsulfonyl)-4-methylpiperazine
CID 63362857
1-Methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine
CID 68267400
4-[3-(4-Methylpiperazin-1-yl)sulfonylpropyl]morpholine
CID 123803437
1-Iodo-4-(oxan-4-ylsulfonyl)piperazine
CID 124199813

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(oxan-4-ylsulfonyl)piperazine?
The IUPAC name of 1-methyl-4-(oxan-4-ylsulfonyl)piperazine (CID 63239741) is 1-methyl-4-(oxan-4-ylsulfonyl)piperazine.
What is the SMILES notation for 1-methyl-4-(oxan-4-ylsulfonyl)piperazine?
The canonical SMILES for 1-methyl-4-(oxan-4-ylsulfonyl)piperazine is CN1CCN(S(=O)(=O)C2CCOCC2)CC1.
What is the InChIKey of 1-methyl-4-(oxan-4-ylsulfonyl)piperazine?
The InChIKey is QAKDYXHHMPAZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-11-4-6-12(7-5-11)16(13,14)10-2-8-15-9-3-10/h10H,2-9H2,1H3.
What are the key properties of 1-methyl-4-(oxan-4-ylsulfonyl)piperazine?
1-methyl-4-(oxan-4-ylsulfonyl)piperazine has a molecular weight of 248.35 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxan-4-ylsulfonyl)piperazine is sourced from PubChem (CID 63239741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).