1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one

C20H28N2O4S — CID 55606502

IUPAC1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C20H28N2O4S/c23-20(9-7-18-5-2-14-26-18)21-10-12-22(13-11-21)27(24,25)19-8-6-16-3-1-4-17(16)15-19/h6,8,15,18H,1-5,7,9-14H2
InChIKeyURSFDWGPEJMIJT-UHFFFAOYSA-N
MW392.52 g/mol
LogP1.97
Rot. Bonds5

About 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one

1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one (PubChem CID 55606502) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
PubChem CID55606502
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C20H28N2O4S/c23-20(9-7-18-5-2-14-26-18)21-10-12-22(13-11-21)27(24,25)19-8-6-16-3-1-4-17(16)15-19/h6,8,15,18H,1-5,7,9-14H2
InChIKeyURSFDWGPEJMIJT-UHFFFAOYSA-N
XLogP1.97
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one with MolForge

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Related Compounds

1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pentane-1,4-dione
CID 8641292
3-amino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119270347
5-[3-oxo-3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 42910375
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 55607255
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8599738
2-[cycloheptyl(methyl)amino]-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]ethanone
CID 16577878
cyclobutyl-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methanone
CID 8641227
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]ethanone
CID 9183526
3,3-dimethyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]butan-1-one
CID 24543782
1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 8622747
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365789
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 78875837

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one (CID 55606502) is 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one is O=C(CCC1CCCO1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The InChIKey is URSFDWGPEJMIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c23-20(9-7-18-5-2-14-26-18)21-10-12-22(13-11-21)27(24,25)19-8-6-16-3-1-4-17(16)15-19/h6,8,15,18H,1-5,7,9-14H2.
What are the key properties of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one?
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one has a molecular weight of 392.52 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 55606502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).