N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide

C12H20N2O2S2 — CID 106159011

IUPACN-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
SMILESCSC(CO)C(C)NCc1sccc1NC(C)=O
InChIInChI=1S/C12H20N2O2S2/c1-8(12(7-15)17-3)13-6-11-10(4-5-18-11)14-9(2)16/h4-5,8,12-13,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyPIVMMXHZLGFKKR-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.91
Rot. Bonds7

About N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide

N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide (PubChem CID 106159011) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
PubChem CID106159011
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
SMILESCSC(CO)C(C)NCc1sccc1NC(C)=O
InChIInChI=1S/C12H20N2O2S2/c1-8(12(7-15)17-3)13-6-11-10(4-5-18-11)14-9(2)16/h4-5,8,12-13,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyPIVMMXHZLGFKKR-UHFFFAOYSA-N
XLogP1.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide 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

N-[2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 79254280
N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385318
N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385102
N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 113376055
N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide
CID 81350667
N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 66387407
N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66387613
N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 107860731
N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide
CID 66387309
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386592

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide (CID 106159011) is N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide is CSC(CO)C(C)NCc1sccc1NC(C)=O.
What is the InChIKey of N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide?
The InChIKey is PIVMMXHZLGFKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-8(12(7-15)17-3)13-6-11-10(4-5-18-11)14-9(2)16/h4-5,8,12-13,15H,6-7H2,1-3H3,(H,14,16).
What are the key properties of N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide?
N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 106159011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).