N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide

C13H19NO3S — CID 111486054

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide
SMILESCC(C(=O)NCC1(O)CCOCC1)c1ccsc1
InChIInChI=1S/C13H19NO3S/c1-10(11-2-7-18-8-11)12(15)14-9-13(16)3-5-17-6-4-13/h2,7-8,10,16H,3-6,9H2,1H3,(H,14,15)
InChIKeyARYSBFZKOVJLGZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.51
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide (PubChem CID 111486054) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide
PubChem CID111486054
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide
SMILESCC(C(=O)NCC1(O)CCOCC1)c1ccsc1
InChIInChI=1S/C13H19NO3S/c1-10(11-2-7-18-8-11)12(15)14-9-13(16)3-5-17-6-4-13/h2,7-8,10,16H,3-6,9H2,1H3,(H,14,15)
InChIKeyARYSBFZKOVJLGZ-UHFFFAOYSA-N
XLogP1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
CID 81130842
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea
CID 111509669
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 81130040
N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 79037145
N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
CID 70969174
N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 115893048
N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide
CID 111486235
1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 110936500
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
2-(2-fluorophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79037138
4-(N'-hydroxycarbamimidoyl)-N-(1-thiophen-3-ylethyl)oxane-4-carboxamide
CID 76950622

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide (CID 111486054) is N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide is CC(C(=O)NCC1(O)CCOCC1)c1ccsc1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide?
The InChIKey is ARYSBFZKOVJLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10(11-2-7-18-8-11)12(15)14-9-13(16)3-5-17-6-4-13/h2,7-8,10,16H,3-6,9H2,1H3,(H,14,15).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide has a molecular weight of 269.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide is sourced from PubChem (CID 111486054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).