1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine

C16H21NO3S — CID 64675092

IUPAC1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine
SMILESCNC(CS(=O)(=O)C1CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C16H21NO3S/c1-17-14(11-21(18,19)13-7-3-4-8-13)16-10-12-6-2-5-9-15(12)20-16/h2,5-6,9-10,13-14,17H,3-4,7-8,11H2,1H3
InChIKeyXMKMYYHUIOEZIL-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.05
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine

1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine (PubChem CID 64675092) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine
PubChem CID64675092
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine
SMILESCNC(CS(=O)(=O)C1CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C16H21NO3S/c1-17-14(11-21(18,19)13-7-3-4-8-13)16-10-12-6-2-5-9-15(12)20-16/h2,5-6,9-10,13-14,17H,3-4,7-8,11H2,1H3
InChIKeyXMKMYYHUIOEZIL-UHFFFAOYSA-N
XLogP3.05
TPSA59.31 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192280
1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 62862357
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
[1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine
CID 105337838
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine
CID 107758456
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)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105044052
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)-2-cyclopentylsulfonyl-N-methylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine (CID 64675092) is 1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine is CNC(CS(=O)(=O)C1CCCC1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine?
The InChIKey is XMKMYYHUIOEZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-17-14(11-21(18,19)13-7-3-4-8-13)16-10-12-6-2-5-9-15(12)20-16/h2,5-6,9-10,13-14,17H,3-4,7-8,11H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine?
1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine has a molecular weight of 307.41 g/mol, XLogP of 3.05, 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)-2-cyclopentylsulfonyl-N-methylethanamine is sourced from PubChem (CID 64675092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).