(2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol

C10H16ClNO2S — CID 91648031

IUPAC(2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CNC(C)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNO2S/c1-7(9-3-4-10(11)15-9)12-5-8(13)6-14-2/h3-4,7-8,12-13H,5-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyOKKLGZYGHOMXEA-BRFYHDHCSA-N
MW249.76 g/mol
LogP2.06
Rot. Bonds6

About (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol

(2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol (PubChem CID 91648031) has the molecular formula C10H16ClNO2S and a molecular weight of 249.76 g/mol. Its IUPAC name is (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol
PubChem CID91648031
Molecular FormulaC10H16ClNO2S
Molecular Weight249.76 g/mol
Exact Mass249.06
IUPAC Name(2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CNC(C)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNO2S/c1-7(9-3-4-10(11)15-9)12-5-8(13)6-14-2/h3-4,7-8,12-13H,5-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyOKKLGZYGHOMXEA-BRFYHDHCSA-N
XLogP2.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.76
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol (CID 91648031) is (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol is COC[C@H](O)CNC(C)c1ccc(Cl)s1.
What is the InChIKey of (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol?
The InChIKey is OKKLGZYGHOMXEA-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H16ClNO2S/c1-7(9-3-4-10(11)15-9)12-5-8(13)6-14-2/h3-4,7-8,12-13H,5-6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol?
(2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol has a molecular weight of 249.76 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 91648031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).