(2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone

C10H13NOS2 — CID 102839670

IUPAC(2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
SMILESCc1sccc1C(=O)C1CSCCN1
InChIInChI=1S/C10H13NOS2/c1-7-8(2-4-14-7)10(12)9-6-13-5-3-11-9/h2,4,9,11H,3,5-6H2,1H3
InChIKeyDMRRFOQEHWUZBQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.94
Rot. Bonds2

About (2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone

(2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone (PubChem CID 102839670) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
PubChem CID102839670
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC Name(2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
SMILESCc1sccc1C(=O)C1CSCCN1
InChIInChI=1S/C10H13NOS2/c1-7-8(2-4-14-7)10(12)9-6-13-5-3-11-9/h2,4,9,11H,3,5-6H2,1H3
InChIKeyDMRRFOQEHWUZBQ-UHFFFAOYSA-N
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102839506
(5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
CID 116609720
(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609664
(2-propoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609477
(3-bromo-2,4-dimethoxyphenyl)-thiomorpholin-3-ylmethanone
CID 103524357
bis(2-methylthiophen-3-yl)methanone
CID 101441488
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone
CID 116609599
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
(3-fluorophenyl)-thiomorpholin-3-ylmethanone
CID 116609632
N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82908415
(3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone
CID 114607772

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone (CID 102839670) is (2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone is Cc1sccc1C(=O)C1CSCCN1.
What is the InChIKey of (2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone?
The InChIKey is DMRRFOQEHWUZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c1-7-8(2-4-14-7)10(12)9-6-13-5-3-11-9/h2,4,9,11H,3,5-6H2,1H3.
What are the key properties of (2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone?
(2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone has a molecular weight of 227.35 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 102839670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).