1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol

C10H16BrNOS — CID 79594978

IUPAC1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol
SMILESCN(C)C(C)(C)C(O)c1cscc1Br
InChIInChI=1S/C10H16BrNOS/c1-10(2,12(3)4)9(13)7-5-14-6-8(7)11/h5-6,9,13H,1-4H3
InChIKeyYSFFHEGNVUWVLH-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol

1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol (PubChem CID 79594978) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol
PubChem CID79594978
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC Name1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol
SMILESCN(C)C(C)(C)C(O)c1cscc1Br
InChIInChI=1S/C10H16BrNOS/c1-10(2,12(3)4)9(13)7-5-14-6-8(7)11/h5-6,9,13H,1-4H3
InChIKeyYSFFHEGNVUWVLH-UHFFFAOYSA-N
XLogP2.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol (CID 79594978) is 1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol is CN(C)C(C)(C)C(O)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol?
The InChIKey is YSFFHEGNVUWVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-10(2,12(3)4)9(13)7-5-14-6-8(7)11/h5-6,9,13H,1-4H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol?
1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol has a molecular weight of 278.21 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 79594978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).