N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide

C9H13NO2S — CID 116860798

IUPACN-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide
SMILESCC(=O)NC(CO)c1sccc1C
InChIInChI=1S/C9H13NO2S/c1-6-3-4-13-9(6)8(5-11)10-7(2)12/h3-4,8,11H,5H2,1-2H3,(H,10,12)
InChIKeyQGMRLCGQDKOSSC-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.23
Rot. Bonds3

About N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide

N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide (PubChem CID 116860798) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide
PubChem CID116860798
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide
SMILESCC(=O)NC(CO)c1sccc1C
InChIInChI=1S/C9H13NO2S/c1-6-3-4-13-9(6)8(5-11)10-7(2)12/h3-4,8,11H,5H2,1-2H3,(H,10,12)
InChIKeyQGMRLCGQDKOSSC-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol
CID 130738998
N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]-5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 138016947
(3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid
CID 115380715
2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol
CID 115907951
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid
CID 64526594
2-(hex-5-en-2-ylamino)-2-(3-methylthiophen-2-yl)ethanol
CID 104583335
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol
CID 116942474
3,4-dihydroxy-4-(3-methylthiophen-2-yl)butanoic acid
CID 171877069
(2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide
CID 119328368
3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol
CID 65378659

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide (CID 116860798) is N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide is CC(=O)NC(CO)c1sccc1C.
What is the InChIKey of N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide?
The InChIKey is QGMRLCGQDKOSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-3-4-13-9(6)8(5-11)10-7(2)12/h3-4,8,11H,5H2,1-2H3,(H,10,12).
What are the key properties of N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide?
N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide has a molecular weight of 199.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 116860798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).