N-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide

C13H19NOS — CID 51089365

IUPACN-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide
SMILESCC(C)CC(NC(=O)C1CC1)c1cccs1
InChIInChI=1S/C13H19NOS/c1-9(2)8-11(12-4-3-7-16-12)14-13(15)10-5-6-10/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,14,15)
InChIKeySWNZUFGOALYTLQ-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.36
Rot. Bonds5

About N-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide

N-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide (PubChem CID 51089365) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide
PubChem CID51089365
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide
SMILESCC(C)CC(NC(=O)C1CC1)c1cccs1
InChIInChI=1S/C13H19NOS/c1-9(2)8-11(12-4-3-7-16-12)14-13(15)10-5-6-10/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,14,15)
InChIKeySWNZUFGOALYTLQ-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide?
The IUPAC name of N-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide (CID 51089365) is N-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide is CC(C)CC(NC(=O)C1CC1)c1cccs1.
What is the InChIKey of N-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide?
The InChIKey is SWNZUFGOALYTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9(2)8-11(12-4-3-7-16-12)14-13(15)10-5-6-10/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of N-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide?
N-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide has a molecular weight of 237.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-thiophen-2-ylbutyl)cyclopropanecarboxamide is sourced from PubChem (CID 51089365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).