[4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone

C10H13NO2S — CID 116561337

IUPAC[4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone
SMILESCNC1COCC1C(=O)c1ccsc1
InChIInChI=1S/C10H13NO2S/c1-11-9-5-13-4-8(9)10(12)7-2-3-14-6-7/h2-3,6,8-9,11H,4-5H2,1H3
InChIKeySASHCCMQEMLEMZ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.17
Rot. Bonds3

About [4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone

[4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone (PubChem CID 116561337) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is [4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone
PubChem CID116561337
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name[4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone
SMILESCNC1COCC1C(=O)c1ccsc1
InChIInChI=1S/C10H13NO2S/c1-11-9-5-13-4-8(9)10(12)7-2-3-14-6-7/h2-3,6,8-9,11H,4-5H2,1H3
InChIKeySASHCCMQEMLEMZ-UHFFFAOYSA-N
XLogP1.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone (CID 116561337) is [4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone is CNC1COCC1C(=O)c1ccsc1.
What is the InChIKey of [4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone?
The InChIKey is SASHCCMQEMLEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-11-9-5-13-4-8(9)10(12)7-2-3-14-6-7/h2-3,6,8-9,11H,4-5H2,1H3.
What are the key properties of [4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone?
[4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone has a molecular weight of 211.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)oxolan-3-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 116561337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).