N-(thiophen-2-ylmethyl)cyclopropanecarboxamide

C9H11NOS — CID 2453059

IUPACN-(thiophen-2-ylmethyl)cyclopropanecarboxamide
SMILESO=C(NCc1cccs1)C1CC1
InChIInChI=1S/C9H11NOS/c11-9(7-3-4-7)10-6-8-2-1-5-12-8/h1-2,5,7H,3-4,6H2,(H,10,11)
InChIKeyFOFXURIEGZCGDY-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.77
Rot. Bonds3

About N-(thiophen-2-ylmethyl)cyclopropanecarboxamide

N-(thiophen-2-ylmethyl)cyclopropanecarboxamide (PubChem CID 2453059) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)cyclopropanecarboxamide
PubChem CID2453059
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC NameN-(thiophen-2-ylmethyl)cyclopropanecarboxamide
SMILESO=C(NCc1cccs1)C1CC1
InChIInChI=1S/C9H11NOS/c11-9(7-3-4-7)10-6-8-2-1-5-12-8/h1-2,5,7H,3-4,6H2,(H,10,11)
InChIKeyFOFXURIEGZCGDY-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)cyclopropanecarboxamide (CID 2453059) is N-(thiophen-2-ylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)cyclopropanecarboxamide is O=C(NCc1cccs1)C1CC1.
What is the InChIKey of N-(thiophen-2-ylmethyl)cyclopropanecarboxamide?
The InChIKey is FOFXURIEGZCGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c11-9(7-3-4-7)10-6-8-2-1-5-12-8/h1-2,5,7H,3-4,6H2,(H,10,11).
What are the key properties of N-(thiophen-2-ylmethyl)cyclopropanecarboxamide?
N-(thiophen-2-ylmethyl)cyclopropanecarboxamide has a molecular weight of 181.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 2453059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).