N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide

C13H20N2O2S — CID 114117948

IUPACN-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide
SMILESCOC1CCC(NCc2sccc2NC(C)=O)C1
InChIInChI=1S/C13H20N2O2S/c1-9(16)15-12-5-6-18-13(12)8-14-10-3-4-11(7-10)17-2/h5-6,10-11,14H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyBAQXAZGKUMNEGP-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.36
Rot. Bonds5

About N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide

N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide (PubChem CID 114117948) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide
PubChem CID114117948
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide
SMILESCOC1CCC(NCc2sccc2NC(C)=O)C1
InChIInChI=1S/C13H20N2O2S/c1-9(16)15-12-5-6-18-13(12)8-14-10-3-4-11(7-10)17-2/h5-6,10-11,14H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyBAQXAZGKUMNEGP-UHFFFAOYSA-N
XLogP2.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide (CID 114117948) is N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide is COC1CCC(NCc2sccc2NC(C)=O)C1.
What is the InChIKey of N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide?
The InChIKey is BAQXAZGKUMNEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(16)15-12-5-6-18-13(12)8-14-10-3-4-11(7-10)17-2/h5-6,10-11,14H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide?
N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide has a molecular weight of 268.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 114117948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).