3-amino-3-(3-methylthiophen-2-yl)propanamide

C8H12N2OS — CID 43147956

IUPAC3-amino-3-(3-methylthiophen-2-yl)propanamide
SMILESCc1ccsc1C(N)CC(N)=O
InChIInChI=1S/C8H12N2OS/c1-5-2-3-12-8(5)6(9)4-7(10)11/h2-3,6H,4,9H2,1H3,(H2,10,11)
InChIKeyRCVLUBWCYDSDKY-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.93
Rot. Bonds3

About 3-amino-3-(3-methylthiophen-2-yl)propanamide

3-amino-3-(3-methylthiophen-2-yl)propanamide (PubChem CID 43147956) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-amino-3-(3-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-(3-methylthiophen-2-yl)propanamide
PubChem CID43147956
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-amino-3-(3-methylthiophen-2-yl)propanamide
SMILESCc1ccsc1C(N)CC(N)=O
InChIInChI=1S/C8H12N2OS/c1-5-2-3-12-8(5)6(9)4-7(10)11/h2-3,6H,4,9H2,1H3,(H2,10,11)
InChIKeyRCVLUBWCYDSDKY-UHFFFAOYSA-N
XLogP0.93
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide
CID 115380713
3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851424
2,4-diamino-4-(3-methylthiophen-2-yl)butanoic acid
CID 116942752
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine
CID 130055070
N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 116932549
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
3,4-dihydroxy-4-(3-methylthiophen-2-yl)butanoic acid
CID 171877069
(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064
(1R)-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 55276293
(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222723

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-methylthiophen-2-yl)propanamide?
The IUPAC name of 3-amino-3-(3-methylthiophen-2-yl)propanamide (CID 43147956) is 3-amino-3-(3-methylthiophen-2-yl)propanamide.
What is the SMILES notation for 3-amino-3-(3-methylthiophen-2-yl)propanamide?
The canonical SMILES for 3-amino-3-(3-methylthiophen-2-yl)propanamide is Cc1ccsc1C(N)CC(N)=O.
What is the InChIKey of 3-amino-3-(3-methylthiophen-2-yl)propanamide?
The InChIKey is RCVLUBWCYDSDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5-2-3-12-8(5)6(9)4-7(10)11/h2-3,6H,4,9H2,1H3,(H2,10,11).
What are the key properties of 3-amino-3-(3-methylthiophen-2-yl)propanamide?
3-amino-3-(3-methylthiophen-2-yl)propanamide has a molecular weight of 184.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 43147956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).