N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide

C10H16N2OS — CID 81408171

IUPACN-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
SMILESCNC(=O)C(C)N[C@@H](C)c1cccs1
InChIInChI=1S/C10H16N2OS/c1-7(9-5-4-6-14-9)12-8(2)10(13)11-3/h4-8,12H,1-3H3,(H,11,13)/t7-,8?/m0/s1
InChIKeyAUGYPDZVBDEHMP-JAMMHHFISA-N
MW212.32 g/mol
LogP1.53
Rot. Bonds4

About N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide

N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide (PubChem CID 81408171) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
PubChem CID81408171
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
SMILESCNC(=O)C(C)N[C@@H](C)c1cccs1
InChIInChI=1S/C10H16N2OS/c1-7(9-5-4-6-14-9)12-8(2)10(13)11-3/h4-8,12H,1-3H3,(H,11,13)/t7-,8?/m0/s1
InChIKeyAUGYPDZVBDEHMP-JAMMHHFISA-N
XLogP1.53
TPSA41.13 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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43398665
N,4-dimethyl-2-(1-thiophen-2-ylethylamino)pentanamide
CID 43750667
N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81409142
N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43420221
2-chloro-N-methyl-2-thiophen-2-ylacetamide
CID 10103980
tert-butyl 2-(1-thiophen-2-ylethylamino)propanoate
CID 64686931
(2R)-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylpropanamide
CID 103932076
(2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 124625732
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one
CID 43397992
2-[1-(5-ethylthiophen-2-yl)ethylamino]-N-methylpropanamide
CID 61464605
N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 78824991
2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid
CID 103257847

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide?
The IUPAC name of N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide (CID 81408171) is N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide.
What is the SMILES notation for N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide?
The canonical SMILES for N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide is CNC(=O)C(C)N[C@@H](C)c1cccs1.
What is the InChIKey of N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide?
The InChIKey is AUGYPDZVBDEHMP-JAMMHHFISA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(9-5-4-6-14-9)12-8(2)10(13)11-3/h4-8,12H,1-3H3,(H,11,13)/t7-,8?/m0/s1.
What are the key properties of N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide?
N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide has a molecular weight of 212.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide is sourced from PubChem (CID 81408171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).