2-amino-3-(5-ethylthiophen-2-yl)propanamide

C9H14N2OS — CID 64990824

IUPAC2-amino-3-(5-ethylthiophen-2-yl)propanamide
SMILESCCc1ccc(CC(N)C(N)=O)s1
InChIInChI=1S/C9H14N2OS/c1-2-6-3-4-7(13-6)5-8(10)9(11)12/h3-4,8H,2,5,10H2,1H3,(H2,11,12)
InChIKeyVPMWQOVDMOTTIK-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.67
Rot. Bonds4

About 2-amino-3-(5-ethylthiophen-2-yl)propanamide

2-amino-3-(5-ethylthiophen-2-yl)propanamide (PubChem CID 64990824) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-amino-3-(5-ethylthiophen-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(5-ethylthiophen-2-yl)propanamide
PubChem CID64990824
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-amino-3-(5-ethylthiophen-2-yl)propanamide
SMILESCCc1ccc(CC(N)C(N)=O)s1
InChIInChI=1S/C9H14N2OS/c1-2-6-3-4-7(13-6)5-8(10)9(11)12/h3-4,8H,2,5,10H2,1H3,(H2,11,12)
InChIKeyVPMWQOVDMOTTIK-UHFFFAOYSA-N
XLogP0.67
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate
CID 83226704
4-amino-1-(5-ethylthiophen-2-yl)pentan-2-one
CID 116556032
2,5-diethylthiophene
CID 521294
3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
CID 115842663
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119291761
5-amino-2-[(5-ethylthiophen-2-yl)methyl]pentanoic acid
CID 104681326
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 106011877
1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine
CID 115842626
1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine
CID 115842630
5-chloro-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-one
CID 103344261
4-(aminomethyl)-1-(5-ethylthiophen-2-yl)hexan-2-one
CID 116596414
1-(5-ethylthiophen-2-yl)-4,5,5-trimethylhexan-2-one
CID 114967772

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-ethylthiophen-2-yl)propanamide?
The IUPAC name of 2-amino-3-(5-ethylthiophen-2-yl)propanamide (CID 64990824) is 2-amino-3-(5-ethylthiophen-2-yl)propanamide.
What is the SMILES notation for 2-amino-3-(5-ethylthiophen-2-yl)propanamide?
The canonical SMILES for 2-amino-3-(5-ethylthiophen-2-yl)propanamide is CCc1ccc(CC(N)C(N)=O)s1.
What is the InChIKey of 2-amino-3-(5-ethylthiophen-2-yl)propanamide?
The InChIKey is VPMWQOVDMOTTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-6-3-4-7(13-6)5-8(10)9(11)12/h3-4,8H,2,5,10H2,1H3,(H2,11,12).
What are the key properties of 2-amino-3-(5-ethylthiophen-2-yl)propanamide?
2-amino-3-(5-ethylthiophen-2-yl)propanamide has a molecular weight of 198.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-ethylthiophen-2-yl)propanamide is sourced from PubChem (CID 64990824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).