N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide

C13H20N2O3S — CID 106297078

IUPACN-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC1(CO)CCOCC1
InChIInChI=1S/C13H20N2O3S/c1-10(17)15-11-2-7-19-12(11)8-14-13(9-16)3-5-18-6-4-13/h2,7,14,16H,3-6,8-9H2,1H3,(H,15,17)
InChIKeyKHEMJZISKBSROB-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.34
Rot. Bonds5

About N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide

N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide (PubChem CID 106297078) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide
PubChem CID106297078
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC1(CO)CCOCC1
InChIInChI=1S/C13H20N2O3S/c1-10(17)15-11-2-7-19-12(11)8-14-13(9-16)3-5-18-6-4-13/h2,7,14,16H,3-6,8-9H2,1H3,(H,15,17)
InChIKeyKHEMJZISKBSROB-UHFFFAOYSA-N
XLogP1.34
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
CID 113358062
[4-[(5-ethylfuran-2-yl)methylamino]oxan-4-yl]methanol
CID 103765942
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
CID 66386124
N-[2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 79254280
N-[2-[(cyclobutylamino)methyl]thiophen-3-yl]acetamide
CID 66387598
5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]furan-2-carboxylic acid
CID 106297075
N-[2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]thiophen-3-yl]acetamide
CID 66385194
4-[(3-acetamidothiophen-2-yl)methylamino]benzoic acid
CID 66387123
[1-[(3-methoxythiophen-2-yl)methylamino]cyclopentyl]methanol
CID 115711097
4-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 106300321

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide (CID 106297078) is N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNC1(CO)CCOCC1.
What is the InChIKey of N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide?
The InChIKey is KHEMJZISKBSROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(17)15-11-2-7-19-12(11)8-14-13(9-16)3-5-18-6-4-13/h2,7,14,16H,3-6,8-9H2,1H3,(H,15,17).
What are the key properties of N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide?
N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 106297078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).