N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine

C15H21NS — CID 62872683

IUPACN-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine
SMILESc1cc2c(c(NC3CCCSC3)c1)CCCC2
InChIInChI=1S/C15H21NS/c1-2-8-14-12(5-1)6-3-9-15(14)16-13-7-4-10-17-11-13/h3,6,9,13,16H,1-2,4-5,7-8,10-11H2
InChIKeyZXUAZIPXUXJMBA-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.87
Rot. Bonds2

About N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine

N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine (PubChem CID 62872683) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine
PubChem CID62872683
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine
SMILESc1cc2c(c(NC3CCCSC3)c1)CCCC2
InChIInChI=1S/C15H21NS/c1-2-8-14-12(5-1)6-3-9-15(14)16-13-7-4-10-17-11-13/h3,6,9,13,16H,1-2,4-5,7-8,10-11H2
InChIKeyZXUAZIPXUXJMBA-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine?
The IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine (CID 62872683) is N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine.
What is the SMILES notation for N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine?
The canonical SMILES for N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine is c1cc2c(c(NC3CCCSC3)c1)CCCC2.
What is the InChIKey of N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine?
The InChIKey is ZXUAZIPXUXJMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-2-8-14-12(5-1)6-3-9-15(14)16-13-7-4-10-17-11-13/h3,6,9,13,16H,1-2,4-5,7-8,10-11H2.
What are the key properties of N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine?
N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine has a molecular weight of 247.41 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine is sourced from PubChem (CID 62872683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).