N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide

C10H16N2OS — CID 120509228

IUPACN-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
SMILESC[C@@H](CN)NC(=O)CCc1cccs1
InChIInChI=1S/C10H16N2OS/c1-8(7-11)12-10(13)5-4-9-3-2-6-14-9/h2-3,6,8H,4-5,7,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyCQMLGLLILJSBQS-QMMMGPOBSA-N
MW212.32 g/mol
LogP1.14
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide

N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide (PubChem CID 120509228) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
PubChem CID120509228
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
SMILESC[C@@H](CN)NC(=O)CCc1cccs1
InChIInChI=1S/C10H16N2OS/c1-8(7-11)12-10(13)5-4-9-3-2-6-14-9/h2-3,6,8H,4-5,7,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyCQMLGLLILJSBQS-QMMMGPOBSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate
CID 61342753
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701
(2S)-4-methyl-2-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 61155171
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
3-(6-thiophen-2-ylhexanoylamino)butanoic acid
CID 119221489
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-2-ylpropanamide
CID 120655245
N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 75871633
N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
CID 120506210
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide (CID 120509228) is N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide is C[C@@H](CN)NC(=O)CCc1cccs1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is CQMLGLLILJSBQS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(7-11)12-10(13)5-4-9-3-2-6-14-9/h2-3,6,8H,4-5,7,11H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide?
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 212.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 120509228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).