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

C12H21NS2 — CID 63983222

IUPAC2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCSCC(C)CNC(C)c1ccc(C)s1
InChIInChI=1S/C12H21NS2/c1-9(8-14-4)7-13-11(3)12-6-5-10(2)15-12/h5-6,9,11,13H,7-8H2,1-4H3
InChIKeyNLYVKSYZSFCGSG-UHFFFAOYSA-N
MW243.44 g/mol
LogP3.71
Rot. Bonds6

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

2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 63983222) has the molecular formula C12H21NS2 and a molecular weight of 243.44 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID63983222
Molecular FormulaC12H21NS2
Molecular Weight243.44 g/mol
Exact Mass243.11
IUPAC Name2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCSCC(C)CNC(C)c1ccc(C)s1
InChIInChI=1S/C12H21NS2/c1-9(8-14-4)7-13-11(3)12-6-5-10(2)15-12/h5-6,9,11,13H,7-8H2,1-4H3
InChIKeyNLYVKSYZSFCGSG-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (CID 63983222) is 2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is CSCC(C)CNC(C)c1ccc(C)s1.
What is the InChIKey of 2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is NLYVKSYZSFCGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS2/c1-9(8-14-4)7-13-11(3)12-6-5-10(2)15-12/h5-6,9,11,13H,7-8H2,1-4H3.
What are the key properties of 2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 243.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63983222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).