1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine

C12H24N2O3S — CID 126752827

IUPAC1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-11(2)13-5-7-14(8-6-13)18(15,16)12-3-9-17-10-4-12/h11-12H,3-10H2,1-2H3
InChIKeyDNVWBKXURFRVBF-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.52
Rot. Bonds3

About 1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine

1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine (PubChem CID 126752827) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine
PubChem CID126752827
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-11(2)13-5-7-14(8-6-13)18(15,16)12-3-9-17-10-4-12/h11-12H,3-10H2,1-2H3
InChIKeyDNVWBKXURFRVBF-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[2-[butan-2-yl(methyl)amino]ethyl]oxane-4-sulfonamide
CID 56803800
N-[1-(isopropylsulfonyl)-4-piperidyl]-N-methyl-N-tetrahydro-2H-pyran-4-ylamine
CID 91916192
1-Methyl-4-(oxan-4-ylsulfonyl)piperazine
CID 63239741
3-Methyl-1-(oxan-4-ylsulfonyl)piperazine
CID 65448066
(2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine
CID 122544332
(2R)-4-ethyl-1-(2-methoxyethylsulfonyl)-2-methylpiperazine
CID 122544420
1-Iodo-4-(oxan-4-ylsulfonyl)piperazine
CID 124199813
1-(Oxan-4-ylsulfanyl)-4-propan-2-ylpiperazine
CID 126759774

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine (CID 126752827) is 1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(S(=O)(=O)C2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine?
The InChIKey is DNVWBKXURFRVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-11(2)13-5-7-14(8-6-13)18(15,16)12-3-9-17-10-4-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine?
1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine has a molecular weight of 276.40 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 126752827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).