N-(1-thiophen-3-ylpropan-2-yl)formamide

C8H11NOS — CID 64992100

IUPACN-(1-thiophen-3-ylpropan-2-yl)formamide
SMILESCC(Cc1ccsc1)NC=O
InChIInChI=1S/C8H11NOS/c1-7(9-6-10)4-8-2-3-11-5-8/h2-3,5-7H,4H2,1H3,(H,9,10)
InChIKeyFNUVEROGDZHUAA-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.43
Rot. Bonds4

About N-(1-thiophen-3-ylpropan-2-yl)formamide

N-(1-thiophen-3-ylpropan-2-yl)formamide (PubChem CID 64992100) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is N-(1-thiophen-3-ylpropan-2-yl)formamide.

Molecular Properties

Compound NameN-(1-thiophen-3-ylpropan-2-yl)formamide
PubChem CID64992100
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC NameN-(1-thiophen-3-ylpropan-2-yl)formamide
SMILESCC(Cc1ccsc1)NC=O
InChIInChI=1S/C8H11NOS/c1-7(9-6-10)4-8-2-3-11-5-8/h2-3,5-7H,4H2,1H3,(H,9,10)
InChIKeyFNUVEROGDZHUAA-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)formamide?
The IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)formamide (CID 64992100) is N-(1-thiophen-3-ylpropan-2-yl)formamide.
What is the SMILES notation for N-(1-thiophen-3-ylpropan-2-yl)formamide?
The canonical SMILES for N-(1-thiophen-3-ylpropan-2-yl)formamide is CC(Cc1ccsc1)NC=O.
What is the InChIKey of N-(1-thiophen-3-ylpropan-2-yl)formamide?
The InChIKey is FNUVEROGDZHUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-7(9-6-10)4-8-2-3-11-5-8/h2-3,5-7H,4H2,1H3,(H,9,10).
What are the key properties of N-(1-thiophen-3-ylpropan-2-yl)formamide?
N-(1-thiophen-3-ylpropan-2-yl)formamide has a molecular weight of 169.25 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylpropan-2-yl)formamide is sourced from PubChem (CID 64992100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).