1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol

C7H10ClNOS — CID 82656370

IUPAC1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1csc(Cl)c1
InChIInChI=1S/C7H10ClNOS/c1-9-3-6(10)5-2-7(8)11-4-5/h2,4,6,9-10H,3H2,1H3
InChIKeyNAMJCSSXDWXKED-UHFFFAOYSA-N
MW191.68 g/mol
LogP1.65
Rot. Bonds3

About 1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol

1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol (PubChem CID 82656370) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is 1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol
PubChem CID82656370
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1csc(Cl)c1
InChIInChI=1S/C7H10ClNOS/c1-9-3-6(10)5-2-7(8)11-4-5/h2,4,6,9-10H,3H2,1H3
InChIKeyNAMJCSSXDWXKED-UHFFFAOYSA-N
XLogP1.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 82403069
1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
CID 117317266
1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol
CID 102976587
1-(5-chlorothiophen-3-yl)-2-thiophen-2-ylethanol
CID 130767599
4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol
CID 84660765
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide
CID 106170372
ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
CID 143733652
1-(5-chlorothiophen-3-yl)-N,3-dimethylbut-2-en-1-amine
CID 131207429
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
4-(1-bromoethyl)-2-chlorothiophene
CID 174383699

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol (CID 82656370) is 1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol is CNCC(O)c1csc(Cl)c1.
What is the InChIKey of 1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol?
The InChIKey is NAMJCSSXDWXKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNOS/c1-9-3-6(10)5-2-7(8)11-4-5/h2,4,6,9-10H,3H2,1H3.
What are the key properties of 1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol?
1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol has a molecular weight of 191.68 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 82656370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).