(4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone

C16H24N2O4S — CID 95332327

IUPAC(4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCCS(=O)(=O)c1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-23(21,22)15-6-4-14(5-7-15)16(20)18-10-8-17(9-11-18)12-13(2)19/h4-7,13,19H,3,8-12H2,1-2H3/t13-/m1/s1
InChIKeyHQVVPEFXMOBURT-CYBMUJFWSA-N
MW340.45 g/mol
LogP0.62
Rot. Bonds5

About (4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone

(4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone (PubChem CID 95332327) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is (4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
PubChem CID95332327
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name(4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCCS(=O)(=O)c1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-23(21,22)15-6-4-14(5-7-15)16(20)18-10-8-17(9-11-18)12-13(2)19/h4-7,13,19H,3,8-12H2,1-2H3/t13-/m1/s1
InChIKeyHQVVPEFXMOBURT-CYBMUJFWSA-N
XLogP0.62
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326223
[4-(1-aminoethyl)piperidin-1-yl]-(4-ethylsulfonylphenyl)methanone
CID 119520336
[4-(2-hydroxypropyl)piperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 56802463
2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779852
4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 95750555
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56802688
4-fluoro-N-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 134014869
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839
2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide
CID 1239368
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 43393803
(3R)-1-(4-ethylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125134918

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone (CID 95332327) is (4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone is CCS(=O)(=O)c1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1.
What is the InChIKey of (4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The InChIKey is HQVVPEFXMOBURT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-23(21,22)15-6-4-14(5-7-15)16(20)18-10-8-17(9-11-18)12-13(2)19/h4-7,13,19H,3,8-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
(4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone has a molecular weight of 340.45 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylphenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95332327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).