3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide

C10H16N2OS — CID 81408507

IUPAC3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
SMILESCNCCC(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C10H16N2OS/c1-8(9-4-3-7-14-9)12-10(13)5-6-11-2/h3-4,7-8,11H,5-6H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyWGDGJBIJTLCRCG-QMMMGPOBSA-N
MW212.32 g/mol
LogP1.53
Rot. Bonds5

About 3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide

3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide (PubChem CID 81408507) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
PubChem CID81408507
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
SMILESCNCCC(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C10H16N2OS/c1-8(9-4-3-7-14-9)12-10(13)5-6-11-2/h3-4,7-8,11H,5-6H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyWGDGJBIJTLCRCG-QMMMGPOBSA-N
XLogP1.53
TPSA41.13 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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
CID 60842051
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408603
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040
4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81409083
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
tert-butyl 4-oxo-4-(1-thiophen-2-ylethylamino)butanoate
CID 106707023
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991
3-[(4-chlorophenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide
CID 24543595
N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 78824991
4-(4-bromophenyl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 41104492

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
The IUPAC name of 3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide (CID 81408507) is 3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide is CNCCC(=O)N[C@@H](C)c1cccs1.
What is the InChIKey of 3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
The InChIKey is WGDGJBIJTLCRCG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(9-4-3-7-14-9)12-10(13)5-6-11-2/h3-4,7-8,11H,5-6H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of 3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide has a molecular weight of 212.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 81408507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).