2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine

C12H21NS2 — CID 79988789

IUPAC2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCNC(CSC(C)(C)C)c1sccc1C
InChIInChI=1S/C12H21NS2/c1-9-6-7-14-11(9)10(13-5)8-15-12(2,3)4/h6-7,10,13H,8H2,1-5H3
InChIKeyVSTKLFJOYKVBEW-UHFFFAOYSA-N
MW243.44 g/mol
LogP3.85
Rot. Bonds4

About 2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine

2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 79988789) has the molecular formula C12H21NS2 and a molecular weight of 243.44 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID79988789
Molecular FormulaC12H21NS2
Molecular Weight243.44 g/mol
Exact Mass243.11
IUPAC Name2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCNC(CSC(C)(C)C)c1sccc1C
InChIInChI=1S/C12H21NS2/c1-9-6-7-14-11(9)10(13-5)8-15-12(2,3)4/h6-7,10,13H,8H2,1-5H3
InChIKeyVSTKLFJOYKVBEW-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985
2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine
CID 65133054
N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448392
[1-(3-bromothiophen-2-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226600
N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine
CID 105037504
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115842662
2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 103546964
2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115841218
(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol
CID 130738998
N-methyl-1-(3-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 82984360
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 104996357
N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 79987744

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine (CID 79988789) is 2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine is CNC(CSC(C)(C)C)c1sccc1C.
What is the InChIKey of 2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is VSTKLFJOYKVBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS2/c1-9-6-7-14-11(9)10(13-5)8-15-12(2,3)4/h6-7,10,13H,8H2,1-5H3.
What are the key properties of 2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 243.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 79988789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).