N-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide

C9H13NO2S — CID 87659117

IUPACN-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide
SMILESCC(C)(C)ON(C=O)c1ccsc1
InChIInChI=1S/C9H13NO2S/c1-9(2,3)12-10(7-11)8-4-5-13-6-8/h4-7H,1-3H3
InChIKeyYPJHSZJVKMBNGG-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.44
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide

N-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide (PubChem CID 87659117) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide
PubChem CID87659117
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide
SMILESCC(C)(C)ON(C=O)c1ccsc1
InChIInChI=1S/C9H13NO2S/c1-9(2,3)12-10(7-11)8-4-5-13-6-8/h4-7H,1-3H3
InChIKeyYPJHSZJVKMBNGG-UHFFFAOYSA-N
XLogP2.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide (CID 87659117) is N-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide is CC(C)(C)ON(C=O)c1ccsc1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide?
The InChIKey is YPJHSZJVKMBNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-9(2,3)12-10(7-11)8-4-5-13-6-8/h4-7H,1-3H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide?
N-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide has a molecular weight of 199.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide is sourced from PubChem (CID 87659117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).