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

C12H18N2O2S — CID 83228630

IUPACN-[2-[(cyclopentyloxyamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNOC1CCCC1
InChIInChI=1S/C12H18N2O2S/c1-9(15)14-11-6-7-17-12(11)8-13-16-10-4-2-3-5-10/h6-7,10,13H,2-5,8H2,1H3,(H,14,15)
InChIKeyXZFUINPERYEZNX-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.67
Rot. Bonds5

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

N-[2-[(cyclopentyloxyamino)methyl]thiophen-3-yl]acetamide (PubChem CID 83228630) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[2-[(cyclopentyloxyamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(cyclopentyloxyamino)methyl]thiophen-3-yl]acetamide
PubChem CID83228630
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[2-[(cyclopentyloxyamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNOC1CCCC1
InChIInChI=1S/C12H18N2O2S/c1-9(15)14-11-6-7-17-12(11)8-13-16-10-4-2-3-5-10/h6-7,10,13H,2-5,8H2,1H3,(H,14,15)
InChIKeyXZFUINPERYEZNX-UHFFFAOYSA-N
XLogP2.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(cyclopentyloxyamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(cyclopentyloxyamino)methyl]thiophen-3-yl]acetamide (CID 83228630) is N-[2-[(cyclopentyloxyamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(cyclopentyloxyamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(cyclopentyloxyamino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNOC1CCCC1.
What is the InChIKey of N-[2-[(cyclopentyloxyamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is XZFUINPERYEZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(15)14-11-6-7-17-12(11)8-13-16-10-4-2-3-5-10/h6-7,10,13H,2-5,8H2,1H3,(H,14,15).
What are the key properties of N-[2-[(cyclopentyloxyamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(cyclopentyloxyamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 254.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(cyclopentyloxyamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 83228630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).