[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

C16H22N2O5S — CID 124505554

IUPAC[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCOc1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1
InChIInChI=1S/C16H22N2O5S/c1-22-13-4-2-5-14(12-13)24(20,21)18-9-7-17(8-10-18)16(19)15-6-3-11-23-15/h2,4-5,12,15H,3,6-11H2,1H3/t15-/m1/s1
InChIKeySCOGTZRBTACVQW-OAHLLOKOSA-N
MW354.43 g/mol
LogP0.71
Rot. Bonds4

About [4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 124505554) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID124505554
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCOc1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1
InChIInChI=1S/C16H22N2O5S/c1-22-13-4-2-5-14(12-13)24(20,21)18-9-7-17(8-10-18)16(19)15-6-3-11-23-15/h2,4-5,12,15H,3,6-11H2,1H3/t15-/m1/s1
InChIKeySCOGTZRBTACVQW-OAHLLOKOSA-N
XLogP0.71
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818032
[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 51983158
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9370296
oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2970302
4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one
CID 91958530
[(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26776175
[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 55344290
1-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797804
4-(3-methoxyphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811229
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 55330043
(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97116828
[(1R,5S)-7-(4-methoxyphenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(oxolan-2-yl)methanone
CID 171687989

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 124505554) is [4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is COc1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is SCOGTZRBTACVQW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-22-13-4-2-5-14(12-13)24(20,21)18-9-7-17(8-10-18)16(19)15-6-3-11-23-15/h2,4-5,12,15H,3,6-11H2,1H3/t15-/m1/s1.
What are the key properties of [4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 354.43 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 124505554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).