[3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone

C13H19NO2S — CID 56790129

IUPAC[3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone
SMILESCC(C)CC1COCCN1C(=O)c1ccsc1
InChIInChI=1S/C13H19NO2S/c1-10(2)7-12-8-16-5-4-14(12)13(15)11-3-6-17-9-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3
InChIKeyWXIGRMYEQUONOQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.64
Rot. Bonds3

About [3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone

[3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone (PubChem CID 56790129) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is [3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone
PubChem CID56790129
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name[3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone
SMILESCC(C)CC1COCCN1C(=O)c1ccsc1
InChIInChI=1S/C13H19NO2S/c1-10(2)7-12-8-16-5-4-14(12)13(15)11-3-6-17-9-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3
InChIKeyWXIGRMYEQUONOQ-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone (CID 56790129) is [3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone is CC(C)CC1COCCN1C(=O)c1ccsc1.
What is the InChIKey of [3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone?
The InChIKey is WXIGRMYEQUONOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(2)7-12-8-16-5-4-14(12)13(15)11-3-6-17-9-11/h3,6,9-10,12H,4-5,7-8H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone?
[3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone has a molecular weight of 253.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)morpholin-4-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 56790129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).