(3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone

C11H15NO3S3 — CID 66375654

IUPAC(3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1cccs1
InChIInChI=1S/C11H15NO3S3/c1-2-18(14,15)10-8-16-7-5-12(10)11(13)9-4-3-6-17-9/h3-4,6,10H,2,5,7-8H2,1H3
InChIKeyBNMPLICLXWMNPG-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.70
Rot. Bonds3

About (3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone

(3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone (PubChem CID 66375654) has the molecular formula C11H15NO3S3 and a molecular weight of 305.45 g/mol. Its IUPAC name is (3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone
PubChem CID66375654
Molecular FormulaC11H15NO3S3
Molecular Weight305.45 g/mol
Exact Mass305.02
IUPAC Name(3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1cccs1
InChIInChI=1S/C11H15NO3S3/c1-2-18(14,15)10-8-16-7-5-12(10)11(13)9-4-3-6-17-9/h3-4,6,10H,2,5,7-8H2,1H3
InChIKeyBNMPLICLXWMNPG-UHFFFAOYSA-N
XLogP1.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dihydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107689435
(3-bromo-2-fluorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107952634
[3-(chloromethyl)phenyl]-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66376942
(4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66384069
(4-chloro-2-hydroxyphenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66377184
2-anilino-1-(3-ethylsulfonylthiomorpholin-4-yl)ethanone
CID 66378129
(5-bromo-2-fluorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66377955
(4-amino-3-pyridinyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 81245914
(4-amino-3-bromophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66378521
(2-propyl-1,3-thiazolidin-3-yl)-thiophen-2-ylmethanone
CID 122140873
(3-bromo-5-chlorophenyl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 107952633
3-ethylsulfonyl-N-phenylthiomorpholine-4-carbothioamide
CID 116509280

Frequently Asked Questions

What is the IUPAC name of (3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone (CID 66375654) is (3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone is CCS(=O)(=O)C1CSCCN1C(=O)c1cccs1.
What is the InChIKey of (3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone?
The InChIKey is BNMPLICLXWMNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S3/c1-2-18(14,15)10-8-16-7-5-12(10)11(13)9-4-3-6-17-9/h3-4,6,10H,2,5,7-8H2,1H3.
What are the key properties of (3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone?
(3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone has a molecular weight of 305.45 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylsulfonylthiomorpholin-4-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 66375654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).