(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide

C12H20N2O2S — CID 111840791

IUPAC(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
SMILESC[C@@H](C(=O)NCC(C)(O)c1ccsc1)N(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(14(3)4)11(15)13-8-12(2,16)10-5-6-17-7-10/h5-7,9,16H,8H2,1-4H3,(H,13,15)/t9-,12?/m0/s1
InChIKeyOTUXRZHAYJBRFU-QHGLUPRGSA-N
MW256.37 g/mol
LogP1.02
Rot. Bonds5

About (2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide

(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide (PubChem CID 111840791) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
PubChem CID111840791
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
SMILESC[C@@H](C(=O)NCC(C)(O)c1ccsc1)N(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(14(3)4)11(15)13-8-12(2,16)10-5-6-17-7-10/h5-7,9,16H,8H2,1-4H3,(H,13,15)/t9-,12?/m0/s1
InChIKeyOTUXRZHAYJBRFU-QHGLUPRGSA-N
XLogP1.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide
CID 111451994
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide
CID 111452247
2-benzylsulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452281
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide
CID 111720061
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-methylbut-2-enamide
CID 96567087
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
CID 111452322
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-pentylurea
CID 111450359
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide
CID 111451848
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide
CID 111451949

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide (CID 111840791) is (2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide is C[C@@H](C(=O)NCC(C)(O)c1ccsc1)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide?
The InChIKey is OTUXRZHAYJBRFU-QHGLUPRGSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(14(3)4)11(15)13-8-12(2,16)10-5-6-17-7-10/h5-7,9,16H,8H2,1-4H3,(H,13,15)/t9-,12?/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide?
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide has a molecular weight of 256.37 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide is sourced from PubChem (CID 111840791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).