(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone

C13H19N3O4S2 — CID 1256130

IUPAC(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H19N3O4S2/c17-13(12-2-1-11-21-12)14-3-5-15(6-4-14)22(18,19)16-7-9-20-10-8-16/h1-2,11H,3-10H2
InChIKeyGPOJNQGUDXMQNX-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.08
Rot. Bonds3

About (4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone

(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone (PubChem CID 1256130) has the molecular formula C13H19N3O4S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
PubChem CID1256130
Molecular FormulaC13H19N3O4S2
Molecular Weight345.45 g/mol
Exact Mass345.08
IUPAC Name(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H19N3O4S2/c17-13(12-2-1-11-21-12)14-3-5-15(6-4-14)22(18,19)16-7-9-20-10-8-16/h1-2,11H,3-10H2
InChIKeyGPOJNQGUDXMQNX-UHFFFAOYSA-N
XLogP0.08
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone
CID 125423656
4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide
CID 55698247
[4-(chloromethylsulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 63664693
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[2-(morpholin-4-ylsulfonylmethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 126822086
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
1-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 26072779
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2542470
[4-(2-adamantyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 764441
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone (CID 1256130) is (4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is GPOJNQGUDXMQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S2/c17-13(12-2-1-11-21-12)14-3-5-15(6-4-14)22(18,19)16-7-9-20-10-8-16/h1-2,11H,3-10H2.
What are the key properties of (4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone?
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 345.45 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 1256130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).