3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

C11H19NS2 — CID 61473463

IUPAC3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCSCCCNC(C)c1ccc(C)s1
InChIInChI=1S/C11H19NS2/c1-9-5-6-11(14-9)10(2)12-7-4-8-13-3/h5-6,10,12H,4,7-8H2,1-3H3
InChIKeyADXFGEWOMMJJGO-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.46
Rot. Bonds6

About 3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 61473463) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID61473463
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC Name3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCSCCCNC(C)c1ccc(C)s1
InChIInChI=1S/C11H19NS2/c1-9-5-6-11(14-9)10(2)12-7-4-8-13-3/h5-6,10,12H,4,7-8H2,1-3H3
InChIKeyADXFGEWOMMJJGO-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.46
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-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43432672
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494
N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
CID 43109777
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-1-amine
CID 63490848
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 63983222
6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol
CID 115891820
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115895530
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830
1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395540

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (CID 61473463) is 3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is CSCCCNC(C)c1ccc(C)s1.
What is the InChIKey of 3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is ADXFGEWOMMJJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-9-5-6-11(14-9)10(2)12-7-4-8-13-3/h5-6,10,12H,4,7-8H2,1-3H3.
What are the key properties of 3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 61473463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).