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

C12H20N2O2S — CID 115359068

IUPACN-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC(C)(C)CO
InChIInChI=1S/C12H20N2O2S/c1-9(16)14-10-4-5-17-11(10)6-13-7-12(2,3)8-15/h4-5,13,15H,6-8H2,1-3H3,(H,14,16)
InChIKeyUJRMZZMHOAVHTM-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.81
Rot. Bonds6

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

N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide (PubChem CID 115359068) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
PubChem CID115359068
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC(C)(C)CO
InChIInChI=1S/C12H20N2O2S/c1-9(16)14-10-4-5-17-11(10)6-13-7-12(2,3)8-15/h4-5,13,15H,6-8H2,1-3H3,(H,14,16)
InChIKeyUJRMZZMHOAVHTM-UHFFFAOYSA-N
XLogP1.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide
CID 66386316
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide
CID 66385194
N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 106186084
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
methyl 3-[(3-acetamidothiophen-2-yl)methylamino]propanoate
CID 66384915
4-[(3-acetamidothiophen-2-yl)methylamino]benzoic acid
CID 66387123
methyl 2-[(3-acetamidothiophen-2-yl)methylamino]-2-methylpropanoate
CID 66387556
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66385931
N-[2-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophen-3-yl]acetamide
CID 66387774
N-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66385180

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide (CID 115359068) is N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCC(C)(C)CO.
What is the InChIKey of N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide?
The InChIKey is UJRMZZMHOAVHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(16)14-10-4-5-17-11(10)6-13-7-12(2,3)8-15/h4-5,13,15H,6-8H2,1-3H3,(H,14,16).
What are the key properties of N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide?
N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide has a molecular weight of 256.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 115359068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).