N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine

C12H14ClNOS2 — CID 60690550

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine
SMILESClc1ccc(CNCCSCc2ccco2)s1
InChIInChI=1S/C12H14ClNOS2/c13-12-4-3-11(17-12)8-14-5-7-16-9-10-2-1-6-15-10/h1-4,6,14H,5,7-9H2
InChIKeyJPXNIRFQJKKFPG-UHFFFAOYSA-N
MW287.84 g/mol
LogP4.02
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine (PubChem CID 60690550) has the molecular formula C12H14ClNOS2 and a molecular weight of 287.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine
PubChem CID60690550
Molecular FormulaC12H14ClNOS2
Molecular Weight287.84 g/mol
Exact Mass287.02
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine
SMILESClc1ccc(CNCCSCc2ccco2)s1
InChIInChI=1S/C12H14ClNOS2/c13-12-4-3-11(17-12)8-14-5-7-16-9-10-2-1-6-15-10/h1-4,6,14H,5,7-9H2
InChIKeyJPXNIRFQJKKFPG-UHFFFAOYSA-N
XLogP4.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.84
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663461
N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine
CID 62565568
N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine
CID 62576712
N-[(5-chlorothiophen-2-yl)methyl]-2-prop-2-enylsulfanylethanamine;hydrochloride
CID 115615198
2-butylsulfanyl-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 62578252
2-(furan-2-ylmethylsulfanyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60663460
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60690765
N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62554030
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106925799
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-[(5-chlorothiophen-2-yl)methyl]-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106495878
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
CID 60663449

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine (CID 60690550) is N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine is Clc1ccc(CNCCSCc2ccco2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine?
The InChIKey is JPXNIRFQJKKFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNOS2/c13-12-4-3-11(17-12)8-14-5-7-16-9-10-2-1-6-15-10/h1-4,6,14H,5,7-9H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine has a molecular weight of 287.84 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 60690550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).