2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline

C16H19NOS — CID 63204180

IUPAC2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline
SMILESc1ccc(SC2CCCC2)c(NCc2ccoc2)c1
InChIInChI=1S/C16H19NOS/c1-2-6-14(5-1)19-16-8-4-3-7-15(16)17-11-13-9-10-18-12-13/h3-4,7-10,12,14,17H,1-2,5-6,11H2
InChIKeyAYEWIKWQFXGOSR-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.93
Rot. Bonds5

About 2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline

2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline (PubChem CID 63204180) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline
PubChem CID63204180
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline
SMILESc1ccc(SC2CCCC2)c(NCc2ccoc2)c1
InChIInChI=1S/C16H19NOS/c1-2-6-14(5-1)19-16-8-4-3-7-15(16)17-11-13-9-10-18-12-13/h3-4,7-10,12,14,17H,1-2,5-6,11H2
InChIKeyAYEWIKWQFXGOSR-UHFFFAOYSA-N
XLogP4.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43737702
2-cyclopentylsulfanyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756644
2-[(2-cyclopentylsulfanylanilino)methyl]aniline
CID 66419014
2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline
CID 43737712
N-[(5-bromothiophen-2-yl)methyl]-2-cyclopentylsulfanylaniline
CID 43737743
2-cyclopentylsulfanyl-N-[(5-ethylfuran-2-yl)methyl]aniline
CID 63447163
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
2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine
CID 63204400
3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204297
N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide
CID 55096699

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline?
The IUPAC name of 2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline (CID 63204180) is 2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline is c1ccc(SC2CCCC2)c(NCc2ccoc2)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline?
The InChIKey is AYEWIKWQFXGOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-2-6-14(5-1)19-16-8-4-3-7-15(16)17-11-13-9-10-18-12-13/h3-4,7-10,12,14,17H,1-2,5-6,11H2.
What are the key properties of 2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline?
2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline has a molecular weight of 273.40 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(furan-3-ylmethyl)aniline is sourced from PubChem (CID 63204180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).