1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol

C11H18ClNOS — CID 107359559

IUPAC1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(C(O)c1sccc1Cl)N(C)C
InChIInChI=1S/C11H18ClNOS/c1-5-11(2,13(3)4)10(14)9-8(12)6-7-15-9/h6-7,10,14H,5H2,1-4H3
InChIKeyHZYUVZCROGFXME-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.17
Rot. Bonds4

About 1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol

1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol (PubChem CID 107359559) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol
PubChem CID107359559
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(C(O)c1sccc1Cl)N(C)C
InChIInChI=1S/C11H18ClNOS/c1-5-11(2,13(3)4)10(14)9-8(12)6-7-15-9/h6-7,10,14H,5H2,1-4H3
InChIKeyHZYUVZCROGFXME-UHFFFAOYSA-N
XLogP3.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol (CID 107359559) is 1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol is CCC(C)(C(O)c1sccc1Cl)N(C)C.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol?
The InChIKey is HZYUVZCROGFXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-5-11(2,13(3)4)10(14)9-8(12)6-7-15-9/h6-7,10,14H,5H2,1-4H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol?
1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol has a molecular weight of 247.79 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 107359559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).