naphthalen-2-yl(thiolan-2-yl)methanamine

C15H17NS — CID 80623183

IUPACnaphthalen-2-yl(thiolan-2-yl)methanamine
SMILESNC(c1ccc2ccccc2c1)C1CCCS1
InChIInChI=1S/C15H17NS/c16-15(14-6-3-9-17-14)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14-15H,3,6,9,16H2
InChIKeyXCUBEIWCLGTDLR-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.74
Rot. Bonds2

About naphthalen-2-yl(thiolan-2-yl)methanamine

naphthalen-2-yl(thiolan-2-yl)methanamine (PubChem CID 80623183) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is naphthalen-2-yl(thiolan-2-yl)methanamine.

Molecular Properties

Compound Namenaphthalen-2-yl(thiolan-2-yl)methanamine
PubChem CID80623183
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Namenaphthalen-2-yl(thiolan-2-yl)methanamine
SMILESNC(c1ccc2ccccc2c1)C1CCCS1
InChIInChI=1S/C15H17NS/c16-15(14-6-3-9-17-14)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14-15H,3,6,9,16H2
InChIKeyXCUBEIWCLGTDLR-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze naphthalen-2-yl(thiolan-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

quinolin-3-yl(thiolan-2-yl)methanamine
CID 80622472
(2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine
CID 81224264
(3-methoxyphenyl)-(thiolan-2-yl)methanamine
CID 80622358
cyclohexyl(naphthalen-2-yl)methanamine
CID 62715199
thiolan-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 80622365
[3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine
CID 116544898
4-[amino(naphthalen-2-yl)methyl]cyclohexan-1-ol
CID 116941899
(R)-naphthalen-2-yl(oxan-4-yl)methanamine
CID 171246771
(R)-naphthalen-2-yl(oxan-4-yl)methanamine;hydrochloride
CID 171246772
amino(naphthalen-2-yl)methanethiol
CID 116939563
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
cyclopentyl(naphthalen-2-yl)methanol
CID 62715022

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl(thiolan-2-yl)methanamine?
The IUPAC name of naphthalen-2-yl(thiolan-2-yl)methanamine (CID 80623183) is naphthalen-2-yl(thiolan-2-yl)methanamine.
What is the SMILES notation for naphthalen-2-yl(thiolan-2-yl)methanamine?
The canonical SMILES for naphthalen-2-yl(thiolan-2-yl)methanamine is NC(c1ccc2ccccc2c1)C1CCCS1.
What is the InChIKey of naphthalen-2-yl(thiolan-2-yl)methanamine?
The InChIKey is XCUBEIWCLGTDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c16-15(14-6-3-9-17-14)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14-15H,3,6,9,16H2.
What are the key properties of naphthalen-2-yl(thiolan-2-yl)methanamine?
naphthalen-2-yl(thiolan-2-yl)methanamine has a molecular weight of 243.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl(thiolan-2-yl)methanamine is sourced from PubChem (CID 80623183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).