1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine

C14H19NO3S — CID 63192280

IUPAC1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO3S/c1-15-12(7-5-9-19(2,16)17)14-10-11-6-3-4-8-13(11)18-14/h3-4,6,8,10,12,15H,5,7,9H2,1-2H3
InChIKeyKUCUWRMIXVICCX-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.52
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine

1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine (PubChem CID 63192280) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
PubChem CID63192280
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO3S/c1-15-12(7-5-9-19(2,16)17)14-10-11-6-3-4-8-13(11)18-14/h3-4,6,8,10,12,15H,5,7,9H2,1-2H3
InChIKeyKUCUWRMIXVICCX-UHFFFAOYSA-N
XLogP2.52
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
[1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine
CID 105337838
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine
CID 64675092
N-methyl-1-(2-methylphenyl)-4-methylsulfonylbutan-1-amine
CID 63192498
1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184842
N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine
CID 105112992
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
CID 103759858
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine (CID 63192280) is 1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine is CNC(CCCS(C)(=O)=O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
The InChIKey is KUCUWRMIXVICCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-15-12(7-5-9-19(2,16)17)14-10-11-6-3-4-8-13(11)18-14/h3-4,6,8,10,12,15H,5,7,9H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine has a molecular weight of 281.38 g/mol, XLogP of 2.52, 6 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-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 63192280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).