2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol

C14H22N2O3S — CID 131900399

IUPAC2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol
SMILESCc1cccc(S(=O)(=O)N2CCN(C)C(CCO)C2)c1
InChIInChI=1S/C14H22N2O3S/c1-12-4-3-5-14(10-12)20(18,19)16-8-7-15(2)13(11-16)6-9-17/h3-5,10,13,17H,6-9,11H2,1-2H3
InChIKeyXQTSPNZFGCACLR-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.68
Rot. Bonds4

About 2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol

2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol (PubChem CID 131900399) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol
PubChem CID131900399
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol
SMILESCc1cccc(S(=O)(=O)N2CCN(C)C(CCO)C2)c1
InChIInChI=1S/C14H22N2O3S/c1-12-4-3-5-14(10-12)20(18,19)16-8-7-15(2)13(11-16)6-9-17/h3-5,10,13,17H,6-9,11H2,1-2H3
InChIKeyXQTSPNZFGCACLR-UHFFFAOYSA-N
XLogP0.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
1-[3-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanone
CID 63620570
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
3-(2-bromoethyl)-1-(3-methylphenyl)sulfonylpyrrolidine
CID 114801831
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine
CID 110662414
1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine
CID 103976185
1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
CID 110708713
2-[1-(3-methylphenyl)sulfonylazetidin-3-yl]acetic acid
CID 64618229
(3S,4S)-4-hydroxy-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 135105405
3-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80675902

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol (CID 131900399) is 2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol is Cc1cccc(S(=O)(=O)N2CCN(C)C(CCO)C2)c1.
What is the InChIKey of 2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol?
The InChIKey is XQTSPNZFGCACLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-12-4-3-5-14(10-12)20(18,19)16-8-7-15(2)13(11-16)6-9-17/h3-5,10,13,17H,6-9,11H2,1-2H3.
What are the key properties of 2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol?
2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol has a molecular weight of 298.41 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol is sourced from PubChem (CID 131900399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).