(5-methylthiophen-3-yl)-morpholin-4-ylmethanone

C10H13NO2S — CID 802791

IUPAC(5-methylthiophen-3-yl)-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)cs1
InChIInChI=1S/C10H13NO2S/c1-8-6-9(7-14-8)10(12)11-2-4-13-5-3-11/h6-7H,2-5H2,1H3
InChIKeyLVKSHTQPYSZPIV-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.53
Rot. Bonds1

About (5-methylthiophen-3-yl)-morpholin-4-ylmethanone

(5-methylthiophen-3-yl)-morpholin-4-ylmethanone (PubChem CID 802791) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-morpholin-4-ylmethanone
PubChem CID802791
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(5-methylthiophen-3-yl)-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)cs1
InChIInChI=1S/C10H13NO2S/c1-8-6-9(7-14-8)10(12)11-2-4-13-5-3-11/h6-7H,2-5H2,1H3
InChIKeyLVKSHTQPYSZPIV-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-methylthiophen-3-yl)-morpholin-4-ylmethanone (CID 802791) is (5-methylthiophen-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-methylthiophen-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-methylthiophen-3-yl)-morpholin-4-ylmethanone is Cc1cc(C(=O)N2CCOCC2)cs1.
What is the InChIKey of (5-methylthiophen-3-yl)-morpholin-4-ylmethanone?
The InChIKey is LVKSHTQPYSZPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-8-6-9(7-14-8)10(12)11-2-4-13-5-3-11/h6-7H,2-5H2,1H3.
What are the key properties of (5-methylthiophen-3-yl)-morpholin-4-ylmethanone?
(5-methylthiophen-3-yl)-morpholin-4-ylmethanone has a molecular weight of 211.29 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 802791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).