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

C9H15NS2 — CID 60663613

IUPAC2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCSCCNCc1ccc(C)s1
InChIInChI=1S/C9H15NS2/c1-8-3-4-9(12-8)7-10-5-6-11-2/h3-4,10H,5-7H2,1-2H3
InChIKeyZVMNNDWGCVGSIK-UHFFFAOYSA-N
MW201.36 g/mol
LogP2.51
Rot. Bonds5

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

2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 60663613) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID60663613
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC Name2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCSCCNCc1ccc(C)s1
InChIInChI=1S/C9H15NS2/c1-8-3-4-9(12-8)7-10-5-6-11-2/h3-4,10H,5-7H2,1-2H3
InChIKeyZVMNNDWGCVGSIK-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 52.51
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

N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 115584884
2-(2-methylpropylsulfanyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62576329
2-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55024407
2-methyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethylsulfanyl]propan-2-ol
CID 115630880
2-(2-methylfuran-3-yl)sulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 114001042
2-[(2-methylphenyl)methylsulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62771250
N-[(5-methylthiophen-2-yl)methyl]but-3-yn-1-amine
CID 63656860
2-(furan-2-ylmethylsulfanyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663461
N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
CID 4715741
N',N'-diethyl-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 4720465
1-N-[(5-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 62056567
(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
CID 96500046

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 60663613) is 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine is CSCCNCc1ccc(C)s1.
What is the InChIKey of 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is ZVMNNDWGCVGSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-8-3-4-9(12-8)7-10-5-6-11-2/h3-4,10H,5-7H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 201.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 60663613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).