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

C9H15NOS — CID 89477346

IUPAC(1S,2R)-2-(dimethylamino)-1-thiophen-3-ylpropan-1-ol
SMILESC[C@H]([C@@H](O)c1ccsc1)N(C)C
InChIInChI=1S/C9H15NOS/c1-7(10(2)3)9(11)8-4-5-12-6-8/h4-7,9,11H,1-3H3/t7-,9-/m1/s1
InChIKeyOLAOIDONJPMMHU-VXNVDRBHSA-N
MW185.29 g/mol
LogP1.73
Rot. Bonds3

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

(1S,2R)-2-(dimethylamino)-1-thiophen-3-ylpropan-1-ol (PubChem CID 89477346) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (1S,2R)-2-(dimethylamino)-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(dimethylamino)-1-thiophen-3-ylpropan-1-ol
PubChem CID89477346
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(1S,2R)-2-(dimethylamino)-1-thiophen-3-ylpropan-1-ol
SMILESC[C@H]([C@@H](O)c1ccsc1)N(C)C
InChIInChI=1S/C9H15NOS/c1-7(10(2)3)9(11)8-4-5-12-6-8/h4-7,9,11H,1-3H3/t7-,9-/m1/s1
InChIKeyOLAOIDONJPMMHU-VXNVDRBHSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 (1S,2R)-2-(dimethylamino)-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of (1S,2R)-2-(dimethylamino)-1-thiophen-3-ylpropan-1-ol (CID 89477346) is (1S,2R)-2-(dimethylamino)-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-(dimethylamino)-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-(dimethylamino)-1-thiophen-3-ylpropan-1-ol is C[C@H]([C@@H](O)c1ccsc1)N(C)C.
What is the InChIKey of (1S,2R)-2-(dimethylamino)-1-thiophen-3-ylpropan-1-ol?
The InChIKey is OLAOIDONJPMMHU-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7(10(2)3)9(11)8-4-5-12-6-8/h4-7,9,11H,1-3H3/t7-,9-/m1/s1.
What are the key properties of (1S,2R)-2-(dimethylamino)-1-thiophen-3-ylpropan-1-ol?
(1S,2R)-2-(dimethylamino)-1-thiophen-3-ylpropan-1-ol has a molecular weight of 185.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(dimethylamino)-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 89477346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).