3-methoxy-2-(thiophen-3-ylmethylamino)propanamide

C9H14N2O2S — CID 115774705

IUPAC3-methoxy-2-(thiophen-3-ylmethylamino)propanamide
SMILESCOCC(NCc1ccsc1)C(N)=O
InChIInChI=1S/C9H14N2O2S/c1-13-5-8(9(10)12)11-4-7-2-3-14-6-7/h2-3,6,8,11H,4-5H2,1H3,(H2,10,12)
InChIKeyJEZSCKXYTSTSHP-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.34
Rot. Bonds6

About 3-methoxy-2-(thiophen-3-ylmethylamino)propanamide

3-methoxy-2-(thiophen-3-ylmethylamino)propanamide (PubChem CID 115774705) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-methoxy-2-(thiophen-3-ylmethylamino)propanamide.

Molecular Properties

Compound Name3-methoxy-2-(thiophen-3-ylmethylamino)propanamide
PubChem CID115774705
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-methoxy-2-(thiophen-3-ylmethylamino)propanamide
SMILESCOCC(NCc1ccsc1)C(N)=O
InChIInChI=1S/C9H14N2O2S/c1-13-5-8(9(10)12)11-4-7-2-3-14-6-7/h2-3,6,8,11H,4-5H2,1H3,(H2,10,12)
InChIKeyJEZSCKXYTSTSHP-UHFFFAOYSA-N
XLogP0.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide
CID 97062302
2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide
CID 115774727
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451
3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide
CID 63243923
methyl 2-oxo-2-(thiophen-3-ylmethylamino)acetate
CID 112617233
3-methoxy-2-(thiophen-3-ylamino)propanoic acid
CID 103255779
(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide
CID 79023085
2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 63243966
N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide
CID 61067971
N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(thiophen-3-ylmethylamino)propanamide?
The IUPAC name of 3-methoxy-2-(thiophen-3-ylmethylamino)propanamide (CID 115774705) is 3-methoxy-2-(thiophen-3-ylmethylamino)propanamide.
What is the SMILES notation for 3-methoxy-2-(thiophen-3-ylmethylamino)propanamide?
The canonical SMILES for 3-methoxy-2-(thiophen-3-ylmethylamino)propanamide is COCC(NCc1ccsc1)C(N)=O.
What is the InChIKey of 3-methoxy-2-(thiophen-3-ylmethylamino)propanamide?
The InChIKey is JEZSCKXYTSTSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-13-5-8(9(10)12)11-4-7-2-3-14-6-7/h2-3,6,8,11H,4-5H2,1H3,(H2,10,12).
What are the key properties of 3-methoxy-2-(thiophen-3-ylmethylamino)propanamide?
3-methoxy-2-(thiophen-3-ylmethylamino)propanamide has a molecular weight of 214.29 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(thiophen-3-ylmethylamino)propanamide is sourced from PubChem (CID 115774705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).