1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone

C9H17FN2O4S — CID 75443853

IUPAC1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCN(S(=O)(=O)CCCF)CC1
InChIInChI=1S/C9H17FN2O4S/c10-2-1-7-17(15,16)12-5-3-11(4-6-12)9(14)8-13/h13H,1-8H2
InChIKeyWOULBSNLHWQKEV-UHFFFAOYSA-N
MW268.31 g/mol
LogP-1.19
Rot. Bonds5

About 1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone

1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone (PubChem CID 75443853) has the molecular formula C9H17FN2O4S and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone
PubChem CID75443853
Molecular FormulaC9H17FN2O4S
Molecular Weight268.31 g/mol
Exact Mass268.09
IUPAC Name1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCN(S(=O)(=O)CCCF)CC1
InChIInChI=1S/C9H17FN2O4S/c10-2-1-7-17(15,16)12-5-3-11(4-6-12)9(14)8-13/h13H,1-8H2
InChIKeyWOULBSNLHWQKEV-UHFFFAOYSA-N
XLogP-1.19
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 75399750
2-Hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone
CID 75443852
2-[4-(2-Hydroxyacetyl)piperazin-1-yl]ethanesulfonic acid
CID 21111043
1-(4-Ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone
CID 46199856
2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethanesulfonic acid
CID 88371387
[2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pentane-1-sulfonate
CID 88712670
2-Methoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 60445443
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 61344440
2-Methoxy-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone
CID 61357199
2-Hydroxy-1-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethanone
CID 75400449
1-(4-Butylsulfonylpiperazin-1-yl)-2-hydroxypropan-1-one
CID 75437352
1-(4-Butylsulfonylpiperazin-1-yl)-2-hydroxyethanone
CID 75443851

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone (CID 75443853) is 1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone is O=C(CO)N1CCN(S(=O)(=O)CCCF)CC1.
What is the InChIKey of 1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone?
The InChIKey is WOULBSNLHWQKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O4S/c10-2-1-7-17(15,16)12-5-3-11(4-6-12)9(14)8-13/h13H,1-8H2.
What are the key properties of 1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone?
1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone has a molecular weight of 268.31 g/mol, XLogP of -1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 75443853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).