1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone

C15H23N3O6S3 — CID 137331339

IUPAC1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1
InChIInChI=1S/C15H23N3O6S3/c1-26(20,21)17-6-4-16(5-7-17)14(19)12-13-2-3-15(25-13)27(22,23)18-8-10-24-11-9-18/h2-3H,4-12H2,1H3
InChIKeyMDVXPCKSMHIIPD-UHFFFAOYSA-N
MW437.57 g/mol
LogP-0.58
Rot. Bonds5

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

1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone (PubChem CID 137331339) has the molecular formula C15H23N3O6S3 and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
PubChem CID137331339
Molecular FormulaC15H23N3O6S3
Molecular Weight437.57 g/mol
Exact Mass437.07
IUPAC Name1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1
InChIInChI=1S/C15H23N3O6S3/c1-26(20,21)17-6-4-16(5-7-17)14(19)12-13-2-3-15(25-13)27(22,23)18-8-10-24-11-9-18/h2-3H,4-12H2,1H3
InChIKeyMDVXPCKSMHIIPD-UHFFFAOYSA-N
XLogP-0.58
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
The IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone (CID 137331339) is 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone is CS(=O)(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1.
What is the InChIKey of 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
The InChIKey is MDVXPCKSMHIIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6S3/c1-26(20,21)17-6-4-16(5-7-17)14(19)12-13-2-3-15(25-13)27(22,23)18-8-10-24-11-9-18/h2-3H,4-12H2,1H3.
What are the key properties of 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone has a molecular weight of 437.57 g/mol, XLogP of -0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone is sourced from PubChem (CID 137331339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).