oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate

C17H24N2O5S — CID 3396448

IUPACoxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)OCC3CCCO3)CC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-14-4-6-16(7-5-14)25(21,22)19-10-8-18(9-11-19)17(20)24-13-15-3-2-12-23-15/h4-7,15H,2-3,8-13H2,1H3
InChIKeyZCTZCPIHMQUFKD-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.62
Rot. Bonds4

About oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate

oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 3396448) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate
PubChem CID3396448
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Nameoxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)OCC3CCCO3)CC2)cc1
InChIInChI=1S/C17H24N2O5S/c1-14-4-6-16(7-5-14)25(21,22)19-10-8-18(9-11-19)17(20)24-13-15-3-2-12-23-15/h4-7,15H,2-3,8-13H2,1H3
InChIKeyZCTZCPIHMQUFKD-UHFFFAOYSA-N
XLogP1.62
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 7964739
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;hydrochloride
CID 119678235
ethyl 4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxylate
CID 110799188
oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557079
oxolan-2-ylmethyl piperidine-1-carboxylate
CID 141186129
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide
CID 43042819
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 78875837
ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate
CID 1262754
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 55330043
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 96573319
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethanone
CID 41187999
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one
CID 55719707

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate (CID 3396448) is oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate is Cc1ccc(S(=O)(=O)N2CCN(C(=O)OCC3CCCO3)CC2)cc1.
What is the InChIKey of oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is ZCTZCPIHMQUFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-14-4-6-16(7-5-14)25(21,22)19-10-8-18(9-11-19)17(20)24-13-15-3-2-12-23-15/h4-7,15H,2-3,8-13H2,1H3.
What are the key properties of oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate?
oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 3396448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).