2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide

C11H17NO2S — CID 115187274

IUPAC2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)C(CO)C(=O)NCc1cccs1
InChIInChI=1S/C11H17NO2S/c1-8(2)10(7-13)11(14)12-6-9-4-3-5-15-9/h3-5,8,10,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyMNNBGCPGIGIRAG-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.63
Rot. Bonds5

About 2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide

2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 115187274) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID115187274
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)C(CO)C(=O)NCc1cccs1
InChIInChI=1S/C11H17NO2S/c1-8(2)10(7-13)11(14)12-6-9-4-3-5-15-9/h3-5,8,10,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyMNNBGCPGIGIRAG-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 115187291
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
(2R)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 95236096
methyl (2S)-3-methyl-2-(thiophen-2-ylmethylcarbamoylamino)butanoate
CID 663465
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 24537811
2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide
CID 91580682
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656
2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide
CID 54782012
2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide
CID 109388777
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide (CID 115187274) is 2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide is CC(C)C(CO)C(=O)NCc1cccs1.
What is the InChIKey of 2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is MNNBGCPGIGIRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(2)10(7-13)11(14)12-6-9-4-3-5-15-9/h3-5,8,10,13H,6-7H2,1-2H3,(H,12,14).
What are the key properties of 2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide?
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 227.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 115187274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).