3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide

C11H18N2O2S — CID 111755667

IUPAC3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide
SMILESCC(CC(N)=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C11H18N2O2S/c1-8(6-10(12)14)13-7-11(2,15)9-4-3-5-16-9/h3-5,8,13,15H,6-7H2,1-2H3,(H2,12,14)
InChIKeyNRGOZSCPCRTQGV-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.81
Rot. Bonds6

About 3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide

3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide (PubChem CID 111755667) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide.

Molecular Properties

Compound Name3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide
PubChem CID111755667
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide
SMILESCC(CC(N)=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C11H18N2O2S/c1-8(6-10(12)14)13-7-11(2,15)9-4-3-5-16-9/h3-5,8,13,15H,6-7H2,1-2H3,(H2,12,14)
InChIKeyNRGOZSCPCRTQGV-UHFFFAOYSA-N
XLogP0.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanoate
CID 110012268
(2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol
CID 97232572
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide
CID 111442221
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
methyl 3-hydroxy-2-methyl-3-thiophen-2-ylbutanoate
CID 72784913
2-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbutanamide
CID 111442311
N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111442087
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
CID 121085799
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiadiazole-5-carboxamide
CID 71782349

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide?
The IUPAC name of 3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide (CID 111755667) is 3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide.
What is the SMILES notation for 3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide?
The canonical SMILES for 3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide is CC(CC(N)=O)NCC(C)(O)c1cccs1.
What is the InChIKey of 3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide?
The InChIKey is NRGOZSCPCRTQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8(6-10(12)14)13-7-11(2,15)9-4-3-5-16-9/h3-5,8,13,15H,6-7H2,1-2H3,(H2,12,14).
What are the key properties of 3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide?
3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide has a molecular weight of 242.34 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide is sourced from PubChem (CID 111755667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).