1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone

C20H30N4O5S2 — CID 55496650

IUPAC1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C20H30N4O5S2/c25-18(15-17-3-4-20(30-17)31(27,28)24-5-1-2-6-24)22-7-9-23(10-8-22)19(26)16-21-11-13-29-14-12-21/h3-4H,1-2,5-16H2
InChIKeyBZBRIFSHICEJGN-UHFFFAOYSA-N
MW470.62 g/mol
LogP0.08
Rot. Bonds6

About 1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone

1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone (PubChem CID 55496650) has the molecular formula C20H30N4O5S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
PubChem CID55496650
Molecular FormulaC20H30N4O5S2
Molecular Weight470.62 g/mol
Exact Mass470.17
IUPAC Name1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C20H30N4O5S2/c25-18(15-17-3-4-20(30-17)31(27,28)24-5-1-2-6-24)22-7-9-23(10-8-22)19(26)16-21-11-13-29-14-12-21/h3-4H,1-2,5-16H2
InChIKeyBZBRIFSHICEJGN-UHFFFAOYSA-N
XLogP0.08
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 137331342
1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 34347338
1-(4-aminopiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119375493
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 55369200
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 42908172
[2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 3621047
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119545474
4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid
CID 119239114
1-(3-aminopiperidin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119379191
1-(3-methylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119578248
1-(azepan-1-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 26390006

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone?
The IUPAC name of 1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone (CID 55496650) is 1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone?
The canonical SMILES for 1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone is O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone?
The InChIKey is BZBRIFSHICEJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O5S2/c25-18(15-17-3-4-20(30-17)31(27,28)24-5-1-2-6-24)22-7-9-23(10-8-22)19(26)16-21-11-13-29-14-12-21/h3-4H,1-2,5-16H2.
What are the key properties of 1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone?
1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone has a molecular weight of 470.62 g/mol, XLogP of 0.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone is sourced from PubChem (CID 55496650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).