1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine

C20H33N3O4S2 — CID 53194241

IUPAC1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C3(CC)CCN(S(C)(=O)=O)C3)CC2)cc1
InChIInChI=1S/C20H33N3O4S2/c1-4-6-18-7-9-19(10-8-18)29(26,27)22-15-13-21(14-16-22)20(5-2)11-12-23(17-20)28(3,24)25/h7-10H,4-6,11-17H2,1-3H3
InChIKeyHBZWDIPJNZCPFK-UHFFFAOYSA-N
MW443.64 g/mol
LogP1.76
Rot. Bonds7

About 1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine

1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine (PubChem CID 53194241) has the molecular formula C20H33N3O4S2 and a molecular weight of 443.64 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine
PubChem CID53194241
Molecular FormulaC20H33N3O4S2
Molecular Weight443.64 g/mol
Exact Mass443.19
IUPAC Name1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C3(CC)CCN(S(C)(=O)=O)C3)CC2)cc1
InChIInChI=1S/C20H33N3O4S2/c1-4-6-18-7-9-19(10-8-18)29(26,27)22-15-13-21(14-16-22)20(5-2)11-12-23(17-20)28(3,24)25/h7-10H,4-6,11-17H2,1-3H3
InChIKeyHBZWDIPJNZCPFK-UHFFFAOYSA-N
XLogP1.76
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)piperazine
CID 53194239
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(3S)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazine
CID 129369354
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
3,3-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
CID 82994043
[4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95112284
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol
CID 6733445
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764
[4-[(3S)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 95112299
(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765347
1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377884

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine (CID 53194241) is 1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine is CCCc1ccc(S(=O)(=O)N2CCN(C3(CC)CCN(S(C)(=O)=O)C3)CC2)cc1.
What is the InChIKey of 1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine?
The InChIKey is HBZWDIPJNZCPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S2/c1-4-6-18-7-9-19(10-8-18)29(26,27)22-15-13-21(14-16-22)20(5-2)11-12-23(17-20)28(3,24)25/h7-10H,4-6,11-17H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine?
1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine has a molecular weight of 443.64 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)-4-(4-propylphenyl)sulfonylpiperazine is sourced from PubChem (CID 53194241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).