3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide

C14H20N2O2S — CID 107131685

IUPAC3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NCC1CCSC1
InChIInChI=1S/C14H20N2O2S/c15-14(17)5-7-18-13-4-2-1-3-12(13)16-9-11-6-8-19-10-11/h1-4,11,16H,5-10H2,(H2,15,17)
InChIKeyYIHSXQBVKYOODQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.11
Rot. Bonds7

About 3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide

3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide (PubChem CID 107131685) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide
PubChem CID107131685
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NCC1CCSC1
InChIInChI=1S/C14H20N2O2S/c15-14(17)5-7-18-13-4-2-1-3-12(13)16-9-11-6-8-19-10-11/h1-4,11,16H,5-10H2,(H2,15,17)
InChIKeyYIHSXQBVKYOODQ-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide
CID 63741794
3-[2-(1-cyclopropylethylamino)phenoxy]propanamide
CID 43729791
3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide
CID 115929140
3-[2-[(5-methylthiolan-3-yl)amino]phenoxy]propanamide
CID 79941723
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide
CID 43729752
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide
CID 43729736
3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide
CID 104879474
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide
CID 66407426

Frequently Asked Questions

What is the IUPAC name of 3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide?
The IUPAC name of 3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide (CID 107131685) is 3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide?
The canonical SMILES for 3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide is NC(=O)CCOc1ccccc1NCC1CCSC1.
What is the InChIKey of 3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide?
The InChIKey is YIHSXQBVKYOODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c15-14(17)5-7-18-13-4-2-1-3-12(13)16-9-11-6-8-19-10-11/h1-4,11,16H,5-10H2,(H2,15,17).
What are the key properties of 3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide?
3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide has a molecular weight of 280.39 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide is sourced from PubChem (CID 107131685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).