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

C10H16N2OS — CID 120507235

IUPACN-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
SMILESC[C@@H](CN)NC(=O)CCc1ccsc1
InChIInChI=1S/C10H16N2OS/c1-8(6-11)12-10(13)3-2-9-4-5-14-7-9/h4-5,7-8H,2-3,6,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeySWEODMIMPJNNHZ-QMMMGPOBSA-N
MW212.32 g/mol
LogP1.14
Rot. Bonds5

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

N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide (PubChem CID 120507235) 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-3-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
PubChem CID120507235
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
SMILESC[C@@H](CN)NC(=O)CCc1ccsc1
InChIInChI=1S/C10H16N2OS/c1-8(6-11)12-10(13)3-2-9-4-5-14-7-9/h4-5,7-8H,2-3,6,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeySWEODMIMPJNNHZ-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

N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
3-methyl-2-(3-thiophen-3-ylpropanoylamino)butanoic acid
CID 119169875
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
(2S)-2-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 99851728
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 38917364
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-3-ylpropanamide
CID 120653069
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
CID 99849615
3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
CID 33034707
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide (CID 120507235) is N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide is C[C@@H](CN)NC(=O)CCc1ccsc1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide?
The InChIKey is SWEODMIMPJNNHZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(6-11)12-10(13)3-2-9-4-5-14-7-9/h4-5,7-8H,2-3,6,11H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide?
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-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-3-ylpropanamide is sourced from PubChem (CID 120507235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).