1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol

C17H28N2O4S — CID 126808932

IUPAC1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(CC(C)(C)O)CC1C
InChIInChI=1S/C17H28N2O4S/c1-13-6-7-15(23-5)16(10-13)24(21,22)19-9-8-18(11-14(19)2)12-17(3,4)20/h6-7,10,14,20H,8-9,11-12H2,1-5H3
InChIKeyPOEQOBUBSBQKFM-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.47
Rot. Bonds5

About 1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol

1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 126808932) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
PubChem CID126808932
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(CC(C)(C)O)CC1C
InChIInChI=1S/C17H28N2O4S/c1-13-6-7-15(23-5)16(10-13)24(21,22)19-9-8-18(11-14(19)2)12-17(3,4)20/h6-7,10,14,20H,8-9,11-12H2,1-5H3
InChIKeyPOEQOBUBSBQKFM-UHFFFAOYSA-N
XLogP1.47
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[3-methyl-4-(2,4,5-trifluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 136534004
1-(2-methoxy-5-methylphenyl)sulfonyl-7-methyl-1,4-diazepane
CID 82252096
3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine
CID 122331622
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
(1R)-2-(2-methoxy-5-methylphenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 8799665
(1S)-2-(2-methoxy-5-methylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 8796372
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8799587
3-ethylsulfonyl-1-(2-methoxy-5-methylphenyl)sulfonylazetidine
CID 121164660
1-butyl-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 113072830
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43589701
(3S,4R)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 135093155

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol (CID 126808932) is 1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol is COc1ccc(C)cc1S(=O)(=O)N1CCN(CC(C)(C)O)CC1C.
What is the InChIKey of 1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is POEQOBUBSBQKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-13-6-7-15(23-5)16(10-13)24(21,22)19-9-8-18(11-14(19)2)12-17(3,4)20/h6-7,10,14,20H,8-9,11-12H2,1-5H3.
What are the key properties of 1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol?
1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 356.49 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 126808932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).