2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline

C18H23NOS — CID 63447163

IUPAC2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline
SMILESCCc1ccc(CNc2ccccc2SC2CCCC2)o1
InChIInChI=1S/C18H23NOS/c1-2-14-11-12-15(20-14)13-19-17-9-5-6-10-18(17)21-16-7-3-4-8-16/h5-6,9-12,16,19H,2-4,7-8,13H2,1H3
InChIKeyUWNUNFCJLWZRCN-UHFFFAOYSA-N
MW301.46 g/mol
LogP5.49
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline

2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline (PubChem CID 63447163) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline
PubChem CID63447163
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline
SMILESCCc1ccc(CNc2ccccc2SC2CCCC2)o1
InChIInChI=1S/C18H23NOS/c1-2-14-11-12-15(20-14)13-19-17-9-5-6-10-18(17)21-16-7-3-4-8-16/h5-6,9-12,16,19H,2-4,7-8,13H2,1H3
InChIKeyUWNUNFCJLWZRCN-UHFFFAOYSA-N
XLogP5.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.46
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(2-cyclopentylsulfanylanilino)methyl]aniline
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CID 63204180
N-[(5-bromothiophen-2-yl)methyl]-2-cyclopentylsulfanylaniline
CID 43737743
2-cyclopentylsulfanyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
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2-cyclopentylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43737702
N-(2-cyclopentylsulfanylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 62832690
2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755248
2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61170826
N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441748
N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide
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N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline
CID 43683366

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline (CID 63447163) is 2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline is CCc1ccc(CNc2ccccc2SC2CCCC2)o1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline?
The InChIKey is UWNUNFCJLWZRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-2-14-11-12-15(20-14)13-19-17-9-5-6-10-18(17)21-16-7-3-4-8-16/h5-6,9-12,16,19H,2-4,7-8,13H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline?
2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline has a molecular weight of 301.46 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 63447163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).