3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide

C9H13ClN2O2S — CID 106170372

IUPAC3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide
SMILESCC(NCC(O)C(N)=O)c1csc(Cl)c1
InChIInChI=1S/C9H13ClN2O2S/c1-5(6-2-8(10)15-4-6)12-3-7(13)9(11)14/h2,4-5,7,12-13H,3H2,1H3,(H2,11,14)
InChIKeyUMQIVMDMQDRPFZ-UHFFFAOYSA-N
MW248.73 g/mol
LogP0.90
Rot. Bonds5

About 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide

3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide (PubChem CID 106170372) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide
PubChem CID106170372
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide
SMILESCC(NCC(O)C(N)=O)c1csc(Cl)c1
InChIInChI=1S/C9H13ClN2O2S/c1-5(6-2-8(10)15-4-6)12-3-7(13)9(11)14/h2,4-5,7,12-13H,3H2,1H3,(H2,11,14)
InChIKeyUMQIVMDMQDRPFZ-UHFFFAOYSA-N
XLogP0.90
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol
CID 102976587
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 102976318
N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide
CID 102976365
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide
CID 102976301
2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 106170555
3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
CID 102976523
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol
CID 102976626
3-[1-(5-chlorothiophen-3-yl)ethylamino]butan-1-ol
CID 102976617
1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 102976976
2-hydroxy-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 106171868
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide
CID 114153528

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide (CID 106170372) is 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide is CC(NCC(O)C(N)=O)c1csc(Cl)c1.
What is the InChIKey of 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide?
The InChIKey is UMQIVMDMQDRPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-5(6-2-8(10)15-4-6)12-3-7(13)9(11)14/h2,4-5,7,12-13H,3H2,1H3,(H2,11,14).
What are the key properties of 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide?
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide has a molecular weight of 248.73 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106170372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).