2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol

C10H14Cl3NOS — CID 3046795

IUPAC2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol
SMILESCC(C)(C)NCC(O)c1sc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H14Cl3NOS/c1-10(2,3)14-4-5(15)8-6(11)7(12)9(13)16-8/h5,14-15H,4H2,1-3H3
InChIKeyANDPBRWMYZHXRH-UHFFFAOYSA-N
MW302.65 g/mol
LogP4.13
Rot. Bonds3

About 2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol

2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol (PubChem CID 3046795) has the molecular formula C10H14Cl3NOS and a molecular weight of 302.65 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol
PubChem CID3046795
Molecular FormulaC10H14Cl3NOS
Molecular Weight302.65 g/mol
Exact Mass300.99
IUPAC Name2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol
SMILESCC(C)(C)NCC(O)c1sc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H14Cl3NOS/c1-10(2,3)14-4-5(15)8-6(11)7(12)9(13)16-8/h5,14-15H,4H2,1-3H3
InChIKeyANDPBRWMYZHXRH-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.65
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 44116
CID 44116
CID 3046789
CID 3046789
CID 3046790
CID 3046790
CID 3046791
CID 3046791
CID 3046792
CID 3046792
CID 3046793
CID 3046793
CID 3046794
CID 3046794
CID 3039980
CID 3039980
CID 198189
CID 198189
CID 217281
CID 217281
CID 3039979
CID 3039979
CID 3043020
CID 3043020

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol (CID 3046795) is 2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol is CC(C)(C)NCC(O)c1sc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol?
The InChIKey is ANDPBRWMYZHXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl3NOS/c1-10(2,3)14-4-5(15)8-6(11)7(12)9(13)16-8/h5,14-15H,4H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol?
2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol has a molecular weight of 302.65 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3,4,5-trichlorothiophen-2-yl)ethanol is sourced from PubChem (CID 3046795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).