[3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine

C15H21NO4S — CID 106721620

IUPAC[3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine
SMILESCC(C)(C)S(=O)(=O)CCOc1c(CN)oc2ccccc12
InChIInChI=1S/C15H21NO4S/c1-15(2,3)21(17,18)9-8-19-14-11-6-4-5-7-12(11)20-13(14)10-16/h4-7H,8-10,16H2,1-3H3
InChIKeyJRZCHAMADRMCRR-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.48
Rot. Bonds5

About [3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine

[3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine (PubChem CID 106721620) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is [3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine
PubChem CID106721620
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name[3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine
SMILESCC(C)(C)S(=O)(=O)CCOc1c(CN)oc2ccccc12
InChIInChI=1S/C15H21NO4S/c1-15(2,3)21(17,18)9-8-19-14-11-6-4-5-7-12(11)20-13(14)10-16/h4-7H,8-10,16H2,1-3H3
InChIKeyJRZCHAMADRMCRR-UHFFFAOYSA-N
XLogP2.48
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3,3,3-trifluoropropoxy)-1-benzofuran-2-yl]methanamine
CID 113399619
(3-methoxy-1-benzofuran-2-yl)methanamine
CID 75355394
[3-[(1-methyltriazol-4-yl)methoxy]-1-benzofuran-2-yl]methanamine
CID 107040822
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1-benzofuran-2-yl]methanamine
CID 115942815
(3-chloro-1-benzofuran-2-yl)methanamine
CID 83817093
[4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine
CID 106721622
3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide
CID 54396511
3-[(2-cyano-1-benzofuran-3-yl)oxy]propane-1-sulfonyl chloride
CID 113399688
[2-[(3-methoxy-3-methylbutoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 106667673
[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62453771
(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine
CID 106722297
[1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine
CID 106717670

Frequently Asked Questions

What is the IUPAC name of [3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine (CID 106721620) is [3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine is CC(C)(C)S(=O)(=O)CCOc1c(CN)oc2ccccc12.
What is the InChIKey of [3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine?
The InChIKey is JRZCHAMADRMCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-15(2,3)21(17,18)9-8-19-14-11-6-4-5-7-12(11)20-13(14)10-16/h4-7H,8-10,16H2,1-3H3.
What are the key properties of [3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine?
[3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine has a molecular weight of 311.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 106721620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).