3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide

C14H20N2O2S — CID 79941723

IUPAC3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide
SMILESCC1CC(Nc2ccccc2OCCC(N)=O)CS1
InChIInChI=1S/C14H20N2O2S/c1-10-8-11(9-19-10)16-12-4-2-3-5-13(12)18-7-6-14(15)17/h2-5,10-11,16H,6-9H2,1H3,(H2,15,17)
InChIKeyOUKGNJBGUNFSSV-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.25
Rot. Bonds6

About 3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide

3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide (PubChem CID 79941723) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide
PubChem CID79941723
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide
SMILESCC1CC(Nc2ccccc2OCCC(N)=O)CS1
InChIInChI=1S/C14H20N2O2S/c1-10-8-11(9-19-10)16-12-4-2-3-5-13(12)18-7-6-14(15)17/h2-5,10-11,16H,6-9H2,1H3,(H2,15,17)
InChIKeyOUKGNJBGUNFSSV-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide
CID 43729752
3-[2-(1-cyclopropylethylamino)phenoxy]propanamide
CID 43729791
3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide
CID 107131685
2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide
CID 79941354
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide
CID 115929140
2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide
CID 115452598
3-(2-ethoxyanilino)propanamide
CID 43131857
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide?
The IUPAC name of 3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide (CID 79941723) is 3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide.
What is the SMILES notation for 3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide?
The canonical SMILES for 3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide is CC1CC(Nc2ccccc2OCCC(N)=O)CS1.
What is the InChIKey of 3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide?
The InChIKey is OUKGNJBGUNFSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-8-11(9-19-10)16-12-4-2-3-5-13(12)18-7-6-14(15)17/h2-5,10-11,16H,6-9H2,1H3,(H2,15,17).
What are the key properties of 3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide?
3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide has a molecular weight of 280.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide is sourced from PubChem (CID 79941723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).