N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

C13H19NS — CID 64626278

IUPACN-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1SC
InChIInChI=1S/C13H19NS/c1-3-14-13-11-7-5-4-6-10(11)8-9-12(13)15-2/h4-7,12-14H,3,8-9H2,1-2H3
InChIKeyNRHXISBZTCGABS-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.02
Rot. Bonds3

About N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64626278) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64626278
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1SC
InChIInChI=1S/C13H19NS/c1-3-14-13-11-7-5-4-6-10(11)8-9-12(13)15-2/h4-7,12-14H,3,8-9H2,1-2H3
InChIKeyNRHXISBZTCGABS-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64626278) is N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2ccccc2CCC1SC.
What is the InChIKey of N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NRHXISBZTCGABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-3-14-13-11-7-5-4-6-10(11)8-9-12(13)15-2/h4-7,12-14H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 221.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64626278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).