(3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol

C9H15NOS — CID 67249713

IUPAC(3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol
SMILESCN(C)[C@@H](CCO)c1cccs1
InChIInChI=1S/C9H15NOS/c1-10(2)8(5-6-11)9-4-3-7-12-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyAGSJSDUFVNEGAJ-QMMMGPOBSA-N
MW185.29 g/mol
LogP1.73
Rot. Bonds4

About (3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol

(3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol (PubChem CID 67249713) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol
PubChem CID67249713
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol
SMILESCN(C)[C@@H](CCO)c1cccs1
InChIInChI=1S/C9H15NOS/c1-10(2)8(5-6-11)9-4-3-7-12-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyAGSJSDUFVNEGAJ-QMMMGPOBSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of (3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol (CID 67249713) is (3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for (3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for (3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol is CN(C)[C@@H](CCO)c1cccs1.
What is the InChIKey of (3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is AGSJSDUFVNEGAJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NOS/c1-10(2)8(5-6-11)9-4-3-7-12-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol?
(3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 185.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(dimethylamino)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 67249713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).