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

C15H21NOS — CID 114745488

IUPAC2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
SMILESNC(CSC1CCCC1)c1cccc2c1OCC2
InChIInChI=1S/C15H21NOS/c16-14(10-18-12-5-1-2-6-12)13-7-3-4-11-8-9-17-15(11)13/h3-4,7,12,14H,1-2,5-6,8-10,16H2
InChIKeyGVRMRIIOSBUMMW-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.30
Rot. Bonds4

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

2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine (PubChem CID 114745488) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
PubChem CID114745488
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
SMILESNC(CSC1CCCC1)c1cccc2c1OCC2
InChIInChI=1S/C15H21NOS/c16-14(10-18-12-5-1-2-6-12)13-7-3-4-11-8-9-17-15(11)13/h3-4,7,12,14H,1-2,5-6,8-10,16H2
InChIKeyGVRMRIIOSBUMMW-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 114745496
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745490
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-2-yl)ethanamine
CID 114744900
cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914
1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
CID 114745358
2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine
CID 64627941
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 114745649
1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine
CID 105189364
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114745997
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine
CID 105053313
[2-cycloheptyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine
CID 105341787

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine (CID 114745488) is 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine is NC(CSC1CCCC1)c1cccc2c1OCC2.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine?
The InChIKey is GVRMRIIOSBUMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c16-14(10-18-12-5-1-2-6-12)13-7-3-4-11-8-9-17-15(11)13/h3-4,7,12,14H,1-2,5-6,8-10,16H2.
What are the key properties of 2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine?
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine has a molecular weight of 263.41 g/mol, XLogP of 3.30, 4 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)ethanamine is sourced from PubChem (CID 114745488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).