(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide

C14H19NO2S — CID 115362327

IUPAC(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC1(CO)CCCC1
InChIInChI=1S/C14H19NO2S/c16-11-14(7-1-2-8-14)10-15-13(17)6-5-12-4-3-9-18-12/h3-6,9,16H,1-2,7-8,10-11H2,(H,15,17)/b6-5+
InChIKeyFQTUQWNGPFVBKF-AATRIKPKSA-N
MW265.38 g/mol
LogP2.43
Rot. Bonds5

About (E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 115362327) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID115362327
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC1(CO)CCCC1
InChIInChI=1S/C14H19NO2S/c16-11-14(7-1-2-8-14)10-15-13(17)6-5-12-4-3-9-18-12/h3-6,9,16H,1-2,7-8,10-11H2,(H,15,17)/b6-5+
InChIKeyFQTUQWNGPFVBKF-AATRIKPKSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide
CID 71960903
N-[(4-hydroxythian-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 111486609
(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 91817472
2-[1-(3-thiophen-2-ylprop-2-enoylamino)cyclohexyl]acetic acid
CID 77058374
(E)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 115701251
(E)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 110208296
(E)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 134161814
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
CID 76946061
4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid
CID 24708663
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
2,2-dimethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoic acid
CID 81370089

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide (CID 115362327) is (E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCC1(CO)CCCC1.
What is the InChIKey of (E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is FQTUQWNGPFVBKF-AATRIKPKSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-11-14(7-1-2-8-14)10-15-13(17)6-5-12-4-3-9-18-12/h3-6,9,16H,1-2,7-8,10-11H2,(H,15,17)/b6-5+.
What are the key properties of (E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 265.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 115362327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).