(2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide

C10H16N2OS — CID 39834683

IUPAC(2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide
SMILESCc1cc(CN[C@@H](C)C(N)=O)c(C)s1
InChIInChI=1S/C10H16N2OS/c1-6-4-9(8(3)14-6)5-12-7(2)10(11)13/h4,7,12H,5H2,1-3H3,(H2,11,13)/t7-/m0/s1
InChIKeyMTCQZFYAWUBFLS-ZETCQYMHSA-N
MW212.32 g/mol
LogP1.33
Rot. Bonds4

About (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide

(2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide (PubChem CID 39834683) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide
PubChem CID39834683
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide
SMILESCc1cc(CN[C@@H](C)C(N)=O)c(C)s1
InChIInChI=1S/C10H16N2OS/c1-6-4-9(8(3)14-6)5-12-7(2)10(11)13/h4,7,12H,5H2,1-3H3,(H2,11,13)/t7-/m0/s1
InChIKeyMTCQZFYAWUBFLS-ZETCQYMHSA-N
XLogP1.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide?
The IUPAC name of (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide (CID 39834683) is (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide.
What is the SMILES notation for (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide?
The canonical SMILES for (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide is Cc1cc(CN[C@@H](C)C(N)=O)c(C)s1.
What is the InChIKey of (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide?
The InChIKey is MTCQZFYAWUBFLS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6-4-9(8(3)14-6)5-12-7(2)10(11)13/h4,7,12H,5H2,1-3H3,(H2,11,13)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide?
(2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide has a molecular weight of 212.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]propanamide is sourced from PubChem (CID 39834683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).