3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide

C9H14N2O2S — CID 106435072

IUPAC3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
SMILESNC(=O)CCNCC(O)c1ccsc1
InChIInChI=1S/C9H14N2O2S/c10-9(13)1-3-11-5-8(12)7-2-4-14-6-7/h2,4,6,8,11-12H,1,3,5H2,(H2,10,13)
InChIKeyPEBBWCFAPINQNE-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.25
Rot. Bonds6

About 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide

3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide (PubChem CID 106435072) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide.

Molecular Properties

Compound Name3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
PubChem CID106435072
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
SMILESNC(=O)CCNCC(O)c1ccsc1
InChIInChI=1S/C9H14N2O2S/c10-9(13)1-3-11-5-8(12)7-2-4-14-6-7/h2,4,6,8,11-12H,1,3,5H2,(H2,10,13)
InChIKeyPEBBWCFAPINQNE-UHFFFAOYSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
N'-hydroxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanimidamide
CID 106435548
2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid
CID 106435892
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]prop-2-enoic acid
CID 106435902
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161
1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
CID 106435115
2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435231

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide?
The IUPAC name of 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide (CID 106435072) is 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide.
What is the SMILES notation for 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide?
The canonical SMILES for 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide is NC(=O)CCNCC(O)c1ccsc1.
What is the InChIKey of 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide?
The InChIKey is PEBBWCFAPINQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c10-9(13)1-3-11-5-8(12)7-2-4-14-6-7/h2,4,6,8,11-12H,1,3,5H2,(H2,10,13).
What are the key properties of 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide?
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide has a molecular weight of 214.29 g/mol, XLogP of 0.25, 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-3-ylethyl)amino]propanamide is sourced from PubChem (CID 106435072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).