(2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one

C8H11NOS — CID 93492517

IUPAC(2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one
SMILESCN[C@@H](C)C(=O)c1cccs1
InChIInChI=1S/C8H11NOS/c1-6(9-2)8(10)7-4-3-5-11-7/h3-6,9H,1-2H3/t6-/m0/s1
InChIKeyDOZQPYDMJMLVKX-LURJTMIESA-N
MW169.25 g/mol
LogP1.54
Rot. Bonds3

About (2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one

(2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one (PubChem CID 93492517) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is (2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one
PubChem CID93492517
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name(2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one
SMILESCN[C@@H](C)C(=O)c1cccs1
InChIInChI=1S/C8H11NOS/c1-6(9-2)8(10)7-4-3-5-11-7/h3-6,9H,1-2H3/t6-/m0/s1
InChIKeyDOZQPYDMJMLVKX-LURJTMIESA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-anilino-1-thiophen-2-ylpropan-1-one
CID 155933844
propan-2-amine;thiophene-2-carboxylic acid
CID 174701743
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
methyl 4-oxo-3-(propan-2-ylamino)-4-thiophen-2-ylbutanoate
CID 82348614
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide
CID 165362140
(2R)-2-hydroxy-1,2-dithiophen-2-ylethanone
CID 725360
acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine
CID 2833779
2-propyl-1,3-dithiophen-2-ylpropane-1,3-dione
CID 132603517
CID 11204853
CID 11204853
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
tert-butyl 2-methyl-3-oxo-3-thiophen-2-ylpropanoate
CID 66338153

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of (2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one (CID 93492517) is (2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for (2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for (2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one is CN[C@@H](C)C(=O)c1cccs1.
What is the InChIKey of (2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one?
The InChIKey is DOZQPYDMJMLVKX-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NOS/c1-6(9-2)8(10)7-4-3-5-11-7/h3-6,9H,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one?
(2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one has a molecular weight of 169.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 93492517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).