2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone

C17H27N3O6S3 — CID 137331340

IUPAC2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCC(C)S(=O)(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1
InChIInChI=1S/C17H27N3O6S3/c1-14(2)28(22,23)19-7-5-18(6-8-19)16(21)13-15-3-4-17(27-15)29(24,25)20-9-11-26-12-10-20/h3-4,14H,5-13H2,1-2H3
InChIKeyBIPOEOKVWQPJGU-UHFFFAOYSA-N
MW465.62 g/mol
LogP0.19
Rot. Bonds6

About 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone

2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 137331340) has the molecular formula C17H27N3O6S3 and a molecular weight of 465.62 g/mol. Its IUPAC name is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID137331340
Molecular FormulaC17H27N3O6S3
Molecular Weight465.62 g/mol
Exact Mass465.11
IUPAC Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCC(C)S(=O)(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1
InChIInChI=1S/C17H27N3O6S3/c1-14(2)28(22,23)19-7-5-18(6-8-19)16(21)13-15-3-4-17(27-15)29(24,25)20-9-11-26-12-10-20/h3-4,14H,5-13H2,1-2H3
InChIKeyBIPOEOKVWQPJGU-UHFFFAOYSA-N
XLogP0.19
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(Methylsulfonyl)-4-(2-thienylacetyl)piperazine
CID 1246104
1-(Phenylsulfonyl)-4-(2-thienylacetyl)piperazine
CID 2225174
1-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 24818090
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 25161661
N-(3-methoxypropyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 25163284
N-(5-methylhexan-2-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24819930
N-ethyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 25161681
1-[(4-Fluorophenyl)sulfonyl]-4-(thien-2-ylacetyl)piperazine
CID 4410795
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide
CID 25163602
(4-(Morpholinosulfonyl)piperazin-1-yl)(thiophen-2-yl)methanone
CID 1256130
1-Morpholin-4-yl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 2365878
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-pentan-3-ylacetamide
CID 2549966

Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone (CID 137331340) is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone is CC(C)S(=O)(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is BIPOEOKVWQPJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O6S3/c1-14(2)28(22,23)19-7-5-18(6-8-19)16(21)13-15-3-4-17(27-15)29(24,25)20-9-11-26-12-10-20/h3-4,14H,5-13H2,1-2H3.
What are the key properties of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone?
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 465.62 g/mol, XLogP of 0.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 137331340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).