1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine

C16H21NO3S — CID 107758456

IUPAC1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine
SMILESCNC(CS(=O)C1CCOC1C)c1cc2ccccc2o1
InChIInChI=1S/C16H21NO3S/c1-11-16(7-8-19-11)21(18)10-13(17-2)15-9-12-5-3-4-6-14(12)20-15/h3-6,9,11,13,16-17H,7-8,10H2,1-2H3
InChIKeySDTORJSXVIDERP-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.62
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine

1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine (PubChem CID 107758456) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine
PubChem CID107758456
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine
SMILESCNC(CS(=O)C1CCOC1C)c1cc2ccccc2o1
InChIInChI=1S/C16H21NO3S/c1-11-16(7-8-19-11)21(18)10-13(17-2)15-9-12-5-3-4-6-14(12)20-15/h3-6,9,11,13,16-17H,7-8,10H2,1-2H3
InChIKeySDTORJSXVIDERP-UHFFFAOYSA-N
XLogP2.62
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 63092027
1-(1-benzofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 55180087
1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine
CID 64675092
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 62862357
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192280
3-[(2-methyloxolan-3-yl)sulfinylmethyl]-1-benzofuran-2-carboxylic acid
CID 107753106
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine (CID 107758456) is 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine is CNC(CS(=O)C1CCOC1C)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine?
The InChIKey is SDTORJSXVIDERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-11-16(7-8-19-11)21(18)10-13(17-2)15-9-12-5-3-4-6-14(12)20-15/h3-6,9,11,13,16-17H,7-8,10H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine?
1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine has a molecular weight of 307.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine is sourced from PubChem (CID 107758456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).