2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine

C14H21NS — CID 94769020

IUPAC2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine
SMILESNCCSCCc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H21NS/c15-8-10-16-9-7-12-5-6-13-3-1-2-4-14(13)11-12/h5-6,11H,1-4,7-10,15H2
InChIKeyCGXWUQFJNFMVPP-UHFFFAOYSA-N
MW235.40 g/mol
LogP2.80
Rot. Bonds5

About 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine

2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine (PubChem CID 94769020) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine
PubChem CID94769020
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine
SMILESNCCSCCc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H21NS/c15-8-10-16-9-7-12-5-6-13-3-1-2-4-14(13)11-12/h5-6,11H,1-4,7-10,15H2
InChIKeyCGXWUQFJNFMVPP-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
2-(2,3-dihydro-1H-inden-5-yl)ethanamine;hydrochloride
CID 135381745
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
5,6,7,8-tetrahydronaphthalen-2-ylmethanamine;hydrochloride
CID 18993882
O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine
CID 83482053
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine
CID 115226180
2-[2-(3-chloro-4-methoxyphenyl)ethylsulfanyl]ethanamine
CID 94769585
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
CID 58277841
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
2-amino-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82495829
[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine
CID 61032630
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 116925103

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine?
The IUPAC name of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine (CID 94769020) is 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine.
What is the SMILES notation for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine?
The canonical SMILES for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine is NCCSCCc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine?
The InChIKey is CGXWUQFJNFMVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c15-8-10-16-9-7-12-5-6-13-3-1-2-4-14(13)11-12/h5-6,11H,1-4,7-10,15H2.
What are the key properties of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine?
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine has a molecular weight of 235.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfanyl]ethanamine is sourced from PubChem (CID 94769020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).