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

C11H19NS2 — CID 115895530

IUPAC2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCSC(C)CNC(C)c1ccc(C)s1
InChIInChI=1S/C11H19NS2/c1-8-5-6-11(14-8)10(3)12-7-9(2)13-4/h5-6,9-10,12H,7H2,1-4H3
InChIKeyVKCZYEXCDHHCLV-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.46
Rot. Bonds5

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

2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 115895530) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID115895530
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC Name2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCSC(C)CNC(C)c1ccc(C)s1
InChIInChI=1S/C11H19NS2/c1-8-5-6-11(14-8)10(3)12-7-9(2)13-4/h5-6,9-10,12H,7H2,1-4H3
InChIKeyVKCZYEXCDHHCLV-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 63983222
(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 103906827
2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473499
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 83141831
2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 79547244
3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 61473463
2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115713828
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 24696263
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (CID 115895530) is 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is CSC(C)CNC(C)c1ccc(C)s1.
What is the InChIKey of 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is VKCZYEXCDHHCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-8-5-6-11(14-8)10(3)12-7-9(2)13-4/h5-6,9-10,12H,7H2,1-4H3.
What are the key properties of 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115895530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).