(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol

C8H13NOS — CID 55293890

IUPAC(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol
SMILESCc1cc([C@H](N)[C@@H](C)O)cs1
InChIInChI=1S/C8H13NOS/c1-5-3-7(4-11-5)8(9)6(2)10/h3-4,6,8,10H,9H2,1-2H3/t6-,8-/m1/s1
InChIKeyYOGDLSUADHMWQY-HTRCEHHLSA-N
MW171.26 g/mol
LogP1.44
Rot. Bonds2

About (1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol

(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol (PubChem CID 55293890) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol
PubChem CID55293890
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol
SMILESCc1cc([C@H](N)[C@@H](C)O)cs1
InChIInChI=1S/C8H13NOS/c1-5-3-7(4-11-5)8(9)6(2)10/h3-4,6,8,10H,9H2,1-2H3/t6-,8-/m1/s1
InChIKeyYOGDLSUADHMWQY-HTRCEHHLSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol (CID 55293890) is (1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol is Cc1cc([C@H](N)[C@@H](C)O)cs1.
What is the InChIKey of (1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol?
The InChIKey is YOGDLSUADHMWQY-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H13NOS/c1-5-3-7(4-11-5)8(9)6(2)10/h3-4,6,8,10H,9H2,1-2H3/t6-,8-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol?
(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol has a molecular weight of 171.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol is sourced from PubChem (CID 55293890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).