1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol

C9H13Cl2NOS — CID 3046793

IUPAC1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1sc(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2NOS/c1-5(2)12-4-7(13)9-6(10)3-8(11)14-9/h3,5,7,12-13H,4H2,1-2H3
InChIKeyFXEIWSOQYYFDEK-UHFFFAOYSA-N
MW254.18 g/mol
LogP3.09
Rot. Bonds4

About 1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol

1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol (PubChem CID 3046793) has the molecular formula C9H13Cl2NOS and a molecular weight of 254.18 g/mol. Its IUPAC name is 1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
PubChem CID3046793
Molecular FormulaC9H13Cl2NOS
Molecular Weight254.18 g/mol
Exact Mass253.01
IUPAC Name1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1sc(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2NOS/c1-5(2)12-4-7(13)9-6(10)3-8(11)14-9/h3,5,7,12-13H,4H2,1-2H3
InChIKeyFXEIWSOQYYFDEK-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol (CID 3046793) is 1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1sc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol?
The InChIKey is FXEIWSOQYYFDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NOS/c1-5(2)12-4-7(13)9-6(10)3-8(11)14-9/h3,5,7,12-13H,4H2,1-2H3.
What are the key properties of 1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol?
1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol has a molecular weight of 254.18 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 3046793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).