4-naphthalen-2-ylsulfanylcyclohexan-1-amine

C16H19NS — CID 62807959

IUPAC4-naphthalen-2-ylsulfanylcyclohexan-1-amine
SMILESNC1CCC(Sc2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H19NS/c17-14-6-9-15(10-7-14)18-16-8-5-12-3-1-2-4-13(12)11-16/h1-5,8,11,14-15H,6-7,9-10,17H2
InChIKeyVTTMBAJKHRJYIT-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.20
Rot. Bonds2

About 4-naphthalen-2-ylsulfanylcyclohexan-1-amine

4-naphthalen-2-ylsulfanylcyclohexan-1-amine (PubChem CID 62807959) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 4-naphthalen-2-ylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name4-naphthalen-2-ylsulfanylcyclohexan-1-amine
PubChem CID62807959
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name4-naphthalen-2-ylsulfanylcyclohexan-1-amine
SMILESNC1CCC(Sc2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H19NS/c17-14-6-9-15(10-7-14)18-16-8-5-12-3-1-2-4-13(12)11-16/h1-5,8,11,14-15H,6-7,9-10,17H2
InChIKeyVTTMBAJKHRJYIT-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylsulfanylcyclohexan-1-amine?
The IUPAC name of 4-naphthalen-2-ylsulfanylcyclohexan-1-amine (CID 62807959) is 4-naphthalen-2-ylsulfanylcyclohexan-1-amine.
What is the SMILES notation for 4-naphthalen-2-ylsulfanylcyclohexan-1-amine?
The canonical SMILES for 4-naphthalen-2-ylsulfanylcyclohexan-1-amine is NC1CCC(Sc2ccc3ccccc3c2)CC1.
What is the InChIKey of 4-naphthalen-2-ylsulfanylcyclohexan-1-amine?
The InChIKey is VTTMBAJKHRJYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c17-14-6-9-15(10-7-14)18-16-8-5-12-3-1-2-4-13(12)11-16/h1-5,8,11,14-15H,6-7,9-10,17H2.
What are the key properties of 4-naphthalen-2-ylsulfanylcyclohexan-1-amine?
4-naphthalen-2-ylsulfanylcyclohexan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 62807959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).