N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide

C12H20N2O2S — CID 113376055

IUPACN-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC(C)CC(C)O
InChIInChI=1S/C12H20N2O2S/c1-8(6-9(2)15)13-7-12-11(4-5-17-12)14-10(3)16/h4-5,8-9,13,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyUDYATUQTXXBITC-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.96
Rot. Bonds6

About N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide

N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 113376055) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide
PubChem CID113376055
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC(C)CC(C)O
InChIInChI=1S/C12H20N2O2S/c1-8(6-9(2)15)13-7-12-11(4-5-17-12)14-10(3)16/h4-5,8-9,13,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyUDYATUQTXXBITC-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385102
N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66387613
N-[2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 79254280
N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide
CID 81350667
N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385318
N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide
CID 66387309
N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 106159011
N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide
CID 79101536
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386592
N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 66387407

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide (CID 113376055) is N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNC(C)CC(C)O.
What is the InChIKey of N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is UDYATUQTXXBITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(6-9(2)15)13-7-12-11(4-5-17-12)14-10(3)16/h4-5,8-9,13,15H,6-7H2,1-3H3,(H,14,16).
What are the key properties of N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 256.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 113376055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).