N-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide

C13H17NOS — CID 42435531

IUPACN-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NC1CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C13H17NOS/c15-12(14-10-5-6-10)13(7-1-2-8-13)11-4-3-9-16-11/h3-4,9-10H,1-2,5-8H2,(H,14,15)
InChIKeyDOTIWSZICUHUSC-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.84
Rot. Bonds3

About N-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide

N-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 42435531) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID42435531
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NC1CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C13H17NOS/c15-12(14-10-5-6-10)13(7-1-2-8-13)11-4-3-9-16-11/h3-4,9-10H,1-2,5-8H2,(H,14,15)
InChIKeyDOTIWSZICUHUSC-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 42435531) is N-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NC1CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is DOTIWSZICUHUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c15-12(14-10-5-6-10)13(7-1-2-8-13)11-4-3-9-16-11/h3-4,9-10H,1-2,5-8H2,(H,14,15).
What are the key properties of N-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 235.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 42435531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).