2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine

C16H23NOS — CID 114745490

IUPAC2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
SMILESCNC(CSC1CCCC1)c1cccc2c1OCC2
InChIInChI=1S/C16H23NOS/c1-17-15(11-19-13-6-2-3-7-13)14-8-4-5-12-9-10-18-16(12)14/h4-5,8,13,15,17H,2-3,6-7,9-11H2,1H3
InChIKeyQYVVPTWLKRQOBX-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.56
Rot. Bonds5

About 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine

2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine (PubChem CID 114745490) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
PubChem CID114745490
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
SMILESCNC(CSC1CCCC1)c1cccc2c1OCC2
InChIInChI=1S/C16H23NOS/c1-17-15(11-19-13-6-2-3-7-13)14-8-4-5-12-9-10-18-16(12)14/h4-5,8,13,15,17H,2-3,6-7,9-11H2,1H3
InChIKeyQYVVPTWLKRQOBX-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114745488
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine
CID 114745502
2-(2-bromophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745652
2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 114745496
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 104542585
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine
CID 105049036
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
[2-cycloheptyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine
CID 105341787
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
1-(3,4-dihydro-2H-chromen-8-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547239
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226295
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745282

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine (CID 114745490) is 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine is CNC(CSC1CCCC1)c1cccc2c1OCC2.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
The InChIKey is QYVVPTWLKRQOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-17-15(11-19-13-6-2-3-7-13)14-8-4-5-12-9-10-18-16(12)14/h4-5,8,13,15,17H,2-3,6-7,9-11H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine has a molecular weight of 277.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine is sourced from PubChem (CID 114745490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).