2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol

C11H17NOS — CID 117239920

IUPAC2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(O)CNC2CCC2)s1
InChIInChI=1S/C11H17NOS/c1-8-5-6-11(14-8)10(13)7-12-9-3-2-4-9/h5-6,9-10,12-13H,2-4,7H2,1H3
InChIKeyCKCLFEDEVRLUSQ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.23
Rot. Bonds4

About 2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol

2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol (PubChem CID 117239920) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol
PubChem CID117239920
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(O)CNC2CCC2)s1
InChIInChI=1S/C11H17NOS/c1-8-5-6-11(14-8)10(13)7-12-9-3-2-4-9/h5-6,9-10,12-13H,2-4,7H2,1H3
InChIKeyCKCLFEDEVRLUSQ-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol (CID 117239920) is 2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol is Cc1ccc(C(O)CNC2CCC2)s1.
What is the InChIKey of 2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol?
The InChIKey is CKCLFEDEVRLUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-5-6-11(14-8)10(13)7-12-9-3-2-4-9/h5-6,9-10,12-13H,2-4,7H2,1H3.
What are the key properties of 2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol?
2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol has a molecular weight of 211.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 117239920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).