N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide

C12H18N2O2S — CID 120948169

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide
SMILESCC(C(=O)NCC1CNCC1O)c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-8(11-3-2-4-17-11)12(16)14-6-9-5-13-7-10(9)15/h2-4,8-10,13,15H,5-7H2,1H3,(H,14,16)
InChIKeyFIHMOQXBNZCODE-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.55
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide (PubChem CID 120948169) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide
PubChem CID120948169
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide
SMILESCC(C(=O)NCC1CNCC1O)c1cccs1
InChIInChI=1S/C12H18N2O2S/c1-8(11-3-2-4-17-11)12(16)14-6-9-5-13-7-10(9)15/h2-4,8-10,13,15H,5-7H2,1H3,(H,14,16)
InChIKeyFIHMOQXBNZCODE-UHFFFAOYSA-N
XLogP0.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide 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

2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120947097
N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120944367
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 120944970
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 120944233
N-piperidin-4-yl-2-thiophen-2-ylpropanamide;hydrochloride
CID 119387503
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)propanamide
CID 120948683
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide
CID 120945132
2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120949029
2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 116675609
N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide
CID 119641253

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide (CID 120948169) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide is CC(C(=O)NCC1CNCC1O)c1cccs1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide?
The InChIKey is FIHMOQXBNZCODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(11-3-2-4-17-11)12(16)14-6-9-5-13-7-10(9)15/h2-4,8-10,13,15H,5-7H2,1H3,(H,14,16).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide has a molecular weight of 254.35 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 120948169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).