2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide

C11H17NOS — CID 81408910

IUPAC2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
SMILESC[C@@H](NC(=O)C(C)(C)C)c1cccs1
InChIInChI=1S/C11H17NOS/c1-8(9-6-5-7-14-9)12-10(13)11(2,3)4/h5-8H,1-4H3,(H,12,13)/t8-/m1/s1
InChIKeyGQDTWGQCUGYTEA-MRVPVSSYSA-N
MW211.33 g/mol
LogP2.97
Rot. Bonds2

About 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide

2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide (PubChem CID 81408910) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
PubChem CID81408910
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
SMILESC[C@@H](NC(=O)C(C)(C)C)c1cccs1
InChIInChI=1S/C11H17NOS/c1-8(9-6-5-7-14-9)12-10(13)11(2,3)4/h5-8H,1-4H3,(H,12,13)/t8-/m1/s1
InChIKeyGQDTWGQCUGYTEA-MRVPVSSYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide
CID 60778927
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 81408740
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide
CID 36974814
2-[(2-methylpropan-2-yl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 103940581
4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81409083
methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
CID 112616741
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
2,2,3-trimethyl-3-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
CID 65265950
(E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide
CID 81409323
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide (CID 81408910) is 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide is C[C@@H](NC(=O)C(C)(C)C)c1cccs1.
What is the InChIKey of 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide?
The InChIKey is GQDTWGQCUGYTEA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(9-6-5-7-14-9)12-10(13)11(2,3)4/h5-8H,1-4H3,(H,12,13)/t8-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide?
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide has a molecular weight of 211.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 81408910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).