2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone

C10H20N2O5S — CID 75443852

IUPAC2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone
SMILESCOCCCS(=O)(=O)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C10H20N2O5S/c1-17-7-2-8-18(15,16)12-5-3-11(4-6-12)10(14)9-13/h13H,2-9H2,1H3
InChIKeyNBPNLHBTQYSBHB-UHFFFAOYSA-N
MW280.35 g/mol
LogP-1.51
Rot. Bonds6

About 2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone

2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone (PubChem CID 75443852) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone
PubChem CID75443852
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone
SMILESCOCCCS(=O)(=O)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C10H20N2O5S/c1-17-7-2-8-18(15,16)12-5-3-11(4-6-12)10(14)9-13/h13H,2-9H2,1H3
InChIKeyNBPNLHBTQYSBHB-UHFFFAOYSA-N
XLogP-1.51
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 75399750
1-[4-(3-Fluoropropylsulfonyl)piperazin-1-yl]-2-hydroxyethanone
CID 75443853
2-[4-(2-Hydroxyacetyl)piperazin-1-yl]ethanesulfonic acid
CID 21111043
1-(4-Ethylsulfonylpiperazin-1-yl)-2-hydroxyethanone
CID 46199856
1-(4-Ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone
CID 46199859
1-[2-[2-(Dimethylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazepan-5-yl]-2-hydroxyethanone
CID 58679187
1-[2-(4-Ethylsulfonylpiperazin-1-yl)-2-oxoethoxy]propan-2-one
CID 71119723
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
N-[2-[ethyl(methyl)amino]ethyl]-N-(2-morpholin-4-ylsulfonylethyl)acetamide
CID 89778318
2-hydroxy-N-[2-[2-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen
CID 172297290
2-Oxo-2-(4-propylsulfonylpiperazin-1-yl)acetic acid
CID 28706049

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone (CID 75443852) is 2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone is COCCCS(=O)(=O)N1CCN(C(=O)CO)CC1.
What is the InChIKey of 2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone?
The InChIKey is NBPNLHBTQYSBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-17-7-2-8-18(15,16)12-5-3-11(4-6-12)10(14)9-13/h13H,2-9H2,1H3.
What are the key properties of 2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone?
2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone has a molecular weight of 280.35 g/mol, XLogP of -1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 75443852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).