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

C10H13NOS2 — CID 116609720

IUPAC(5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
SMILESCc1cc(C(=O)C2CSCCN2)cs1
InChIInChI=1S/C10H13NOS2/c1-7-4-8(5-14-7)10(12)9-6-13-3-2-11-9/h4-5,9,11H,2-3,6H2,1H3
InChIKeyZIGZPQZXASBEBP-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.94
Rot. Bonds2

About (5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone

(5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone (PubChem CID 116609720) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
PubChem CID116609720
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC Name(5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
SMILESCc1cc(C(=O)C2CSCCN2)cs1
InChIInChI=1S/C10H13NOS2/c1-7-4-8(5-14-7)10(12)9-6-13-3-2-11-9/h4-5,9,11H,2-3,6H2,1H3
InChIKeyZIGZPQZXASBEBP-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

(5-methylthiophen-3-yl)-piperidin-2-ylmethanone
CID 116547920
(2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
CID 102839670
(3-fluorophenyl)-thiomorpholin-3-ylmethanone
CID 116609632
(3-cyclobutylphenyl)-thiomorpholin-3-ylmethanone
CID 114607772
2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone
CID 116609593
thiomorpholin-3-yl-[3-(trifluoromethoxy)phenyl]methanone
CID 116609647
N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide
CID 82905664
2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone
CID 102652614
(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609664
(3R)-thiomorpholine-3-carboxamide
CID 41097978
3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone
CID 116609702
2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one
CID 103451508

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone (CID 116609720) is (5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone is Cc1cc(C(=O)C2CSCCN2)cs1.
What is the InChIKey of (5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone?
The InChIKey is ZIGZPQZXASBEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c1-7-4-8(5-14-7)10(12)9-6-13-3-2-11-9/h4-5,9,11H,2-3,6H2,1H3.
What are the key properties of (5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone?
(5-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 (5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 116609720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).