N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide

C13H22N2O2S — CID 106186084

IUPACN-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC(C)(C)C(C)(C)O
InChIInChI=1S/C13H22N2O2S/c1-9(16)15-10-6-7-18-11(10)8-14-12(2,3)13(4,5)17/h6-7,14,17H,8H2,1-5H3,(H,15,16)
InChIKeyBYPKTPRUHHUQLW-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.35
Rot. Bonds5

About N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide

N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide (PubChem CID 106186084) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
PubChem CID106186084
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC(C)(C)C(C)(C)O
InChIInChI=1S/C13H22N2O2S/c1-9(16)15-10-6-7-18-11(10)8-14-12(2,3)13(4,5)17/h6-7,14,17H,8H2,1-5H3,(H,15,16)
InChIKeyBYPKTPRUHHUQLW-UHFFFAOYSA-N
XLogP2.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(3-hydroxy-2,3-dimethylbutan-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-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide
CID 66385890
N-[2-[(3,3,3-trifluoropropylamino)methyl]thiophen-3-yl]acetamide
CID 66386602
N-[2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-yl]acetamide
CID 66386606
N-[2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide
CID 105643467
N-[2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide
CID 105644266
N-[2-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophen-3-yl]acetamide
CID 105905768
N-[2-[(4,4,4-trifluorobutan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 105932234
N-[2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]thiophen-3-yl]acetamide
CID 106210423
N-[2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 106427088
N-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide
CID 114153789
N-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide
CID 114169039
N-[2-[(2,2-difluoroethylamino)methyl]thiophen-3-yl]acetamide
CID 115405702

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide (CID 106186084) is N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNC(C)(C)C(C)(C)O.
What is the InChIKey of N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide?
The InChIKey is BYPKTPRUHHUQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(16)15-10-6-7-18-11(10)8-14-12(2,3)13(4,5)17/h6-7,14,17H,8H2,1-5H3,(H,15,16).
What are the key properties of N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide?
N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide has a molecular weight of 270.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 106186084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).