N-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine

C15H23NOS — CID 103140426

IUPACN-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine
SMILESCNC(C)c1cccc(SCC2CCC(C)O2)c1
InChIInChI=1S/C15H23NOS/c1-11-7-8-14(17-11)10-18-15-6-4-5-13(9-15)12(2)16-3/h4-6,9,11-12,14,16H,7-8,10H2,1-3H3
InChIKeyORWHWGQMZNEBCS-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.63
Rot. Bonds5

About N-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine

N-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine (PubChem CID 103140426) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine
PubChem CID103140426
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine
SMILESCNC(C)c1cccc(SCC2CCC(C)O2)c1
InChIInChI=1S/C15H23NOS/c1-11-7-8-14(17-11)10-18-15-6-4-5-13(9-15)12(2)16-3/h4-6,9,11-12,14,16H,7-8,10H2,1-3H3
InChIKeyORWHWGQMZNEBCS-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine (CID 103140426) is N-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine is CNC(C)c1cccc(SCC2CCC(C)O2)c1.
What is the InChIKey of N-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine?
The InChIKey is ORWHWGQMZNEBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11-7-8-14(17-11)10-18-15-6-4-5-13(9-15)12(2)16-3/h4-6,9,11-12,14,16H,7-8,10H2,1-3H3.
What are the key properties of N-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine?
N-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine has a molecular weight of 265.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine is sourced from PubChem (CID 103140426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).