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

C10H16ClNOS — CID 75484777

IUPAC(2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol
SMILESCC[C@@H](O)CNC(C)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-3-8(13)6-12-7(2)9-4-5-10(11)14-9/h4-5,7-8,12-13H,3,6H2,1-2H3/t7?,8-/m1/s1
InChIKeyLLDNCHGFLLSEBY-BRFYHDHCSA-N
MW233.76 g/mol
LogP2.82
Rot. Bonds5

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

(2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol (PubChem CID 75484777) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol
PubChem CID75484777
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name(2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol
SMILESCC[C@@H](O)CNC(C)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-3-8(13)6-12-7(2)9-4-5-10(11)14-9/h4-5,7-8,12-13H,3,6H2,1-2H3/t7?,8-/m1/s1
InChIKeyLLDNCHGFLLSEBY-BRFYHDHCSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol?
The IUPAC name of (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol (CID 75484777) is (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol.
What is the SMILES notation for (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol?
The canonical SMILES for (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol is CC[C@@H](O)CNC(C)c1ccc(Cl)s1.
What is the InChIKey of (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol?
The InChIKey is LLDNCHGFLLSEBY-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-3-8(13)6-12-7(2)9-4-5-10(11)14-9/h4-5,7-8,12-13H,3,6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol?
(2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol has a molecular weight of 233.76 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(5-chlorothiophen-2-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 75484777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).