1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine

C16H26N2O4S2 — CID 110819026

IUPAC1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)ccc2C)CC1
InChIInChI=1S/C16H26N2O4S2/c1-5-23(19,20)17-8-10-18(11-9-17)24(21,22)16-12-15(13(2)3)7-6-14(16)4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyGJHDBJRTUZBHEG-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.77
Rot. Bonds5

About 1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine

1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine (PubChem CID 110819026) has the molecular formula C16H26N2O4S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
PubChem CID110819026
Molecular FormulaC16H26N2O4S2
Molecular Weight374.53 g/mol
Exact Mass374.13
IUPAC Name1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)ccc2C)CC1
InChIInChI=1S/C16H26N2O4S2/c1-5-23(19,20)17-8-10-18(11-9-17)24(21,22)16-12-15(13(2)3)7-6-14(16)4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyGJHDBJRTUZBHEG-UHFFFAOYSA-N
XLogP1.77
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817774
(4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone
CID 110804708
2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 20896411
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine
CID 82026814
cyclopropyl-[4-(2-methyl-5-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110797149
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
ethane;1-methyl-2-methylsulfonyl-4-propan-2-ylbenzene
CID 176666270
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799630
1-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 3941719
1-(3,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799629
1-(2-methylphenyl)sulfonyl-4-propylsulfonylpiperazine
CID 110819045
2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
CID 91670271

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine?
The IUPAC name of 1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine (CID 110819026) is 1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine is CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)ccc2C)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine?
The InChIKey is GJHDBJRTUZBHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S2/c1-5-23(19,20)17-8-10-18(11-9-17)24(21,22)16-12-15(13(2)3)7-6-14(16)4/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of 1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine?
1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine has a molecular weight of 374.53 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110819026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).