2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C15H19NS2 — CID 55024407

IUPAC2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCSCc2ccccc2)s1
InChIInChI=1S/C15H19NS2/c1-13-7-8-15(18-13)11-16-9-10-17-12-14-5-3-2-4-6-14/h2-8,16H,9-12H2,1H3
InChIKeyBFTXBVJRXFDCTE-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.08
Rot. Bonds7

About 2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine

2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 55024407) has the molecular formula C15H19NS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID55024407
Molecular FormulaC15H19NS2
Molecular Weight277.46 g/mol
Exact Mass277.10
IUPAC Name2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCSCc2ccccc2)s1
InChIInChI=1S/C15H19NS2/c1-13-7-8-15(18-13)11-16-9-10-17-12-14-5-3-2-4-6-14/h2-8,16H,9-12H2,1H3
InChIKeyBFTXBVJRXFDCTE-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylphenyl)methylsulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62771250
N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
CID 4715741
2-(furan-2-ylmethylsulfanyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663461
2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663613
2-(2-methylpropylsulfanyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62576329
2-methyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethylsulfanyl]propan-2-ol
CID 115630880
N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 115584884
N-(2-benzylsulfanylethyl)-3,3-dimethylbutan-1-amine
CID 60695995
1-N-[(5-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 62056567
2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 114001042
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 55024407) is 2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(CNCCSCc2ccccc2)s1.
What is the InChIKey of 2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is BFTXBVJRXFDCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS2/c1-13-7-8-15(18-13)11-16-9-10-17-12-14-5-3-2-4-6-14/h2-8,16H,9-12H2,1H3.
What are the key properties of 2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 277.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 55024407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).