2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine

C14H23NS2 — CID 65144434

IUPAC2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
SMILESCNC(CSC1CCCCC1)c1csc(C)c1
InChIInChI=1S/C14H23NS2/c1-11-8-12(9-16-11)14(15-2)10-17-13-6-4-3-5-7-13/h8-9,13-15H,3-7,10H2,1-2H3
InChIKeyUHDHBRXWBNFPED-UHFFFAOYSA-N
MW269.48 g/mol
LogP4.38
Rot. Bonds5

About 2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine

2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine (PubChem CID 65144434) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
PubChem CID65144434
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC Name2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
SMILESCNC(CSC1CCCCC1)c1csc(C)c1
InChIInChI=1S/C14H23NS2/c1-11-8-12(9-16-11)14(15-2)10-17-13-6-4-3-5-7-13/h8-9,13-15H,3-7,10H2,1-2H3
InChIKeyUHDHBRXWBNFPED-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine (CID 65144434) is 2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine is CNC(CSC1CCCCC1)c1csc(C)c1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
The InChIKey is UHDHBRXWBNFPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS2/c1-11-8-12(9-16-11)14(15-2)10-17-13-6-4-3-5-7-13/h8-9,13-15H,3-7,10H2,1-2H3.
What are the key properties of 2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine has a molecular weight of 269.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 65144434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).