2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide

C12H18N2OS — CID 64816964

IUPAC2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)NCCc1cccs1
InChIInChI=1S/C12H18N2OS/c13-11-5-1-4-10(11)12(15)14-7-6-9-3-2-8-16-9/h2-3,8,10-11H,1,4-7,13H2,(H,14,15)
InChIKeyHYAKAPYIMXXSFR-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.53
Rot. Bonds4

About 2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide

2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide (PubChem CID 64816964) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
PubChem CID64816964
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)NCCc1cccs1
InChIInChI=1S/C12H18N2OS/c13-11-5-1-4-10(11)12(15)14-7-6-9-3-2-8-16-9/h2-3,8,10-11H,1,4-7,13H2,(H,14,15)
InChIKeyHYAKAPYIMXXSFR-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide (CID 64816964) is 2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide is NC1CCCC1C(=O)NCCc1cccs1.
What is the InChIKey of 2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide?
The InChIKey is HYAKAPYIMXXSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-11-5-1-4-10(11)12(15)14-7-6-9-3-2-8-16-9/h2-3,8,10-11H,1,4-7,13H2,(H,14,15).
What are the key properties of 2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide?
2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 64816964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).