N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine

C18H23NS — CID 80627227

IUPACN-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc2ccccc12)C1CCCS1
InChIInChI=1S/C18H23NS/c1-2-12-19-18(17-11-6-13-20-17)16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,17-19H,2,6,11-13H2,1H3
InChIKeyNWWFFTBUURYKHU-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.78
Rot. Bonds5

About N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine

N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine (PubChem CID 80627227) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine
PubChem CID80627227
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc2ccccc12)C1CCCS1
InChIInChI=1S/C18H23NS/c1-2-12-19-18(17-11-6-13-20-17)16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,17-19H,2,6,11-13H2,1H3
InChIKeyNWWFFTBUURYKHU-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-difluorophenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80626413
N-[[2-(2-methoxyethoxy)phenyl]-(thiolan-2-yl)methyl]propan-1-amine
CID 104660569
N-[(2,4-difluorophenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627749
N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622267
N-[(4-methyl-3-pyridinyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627180
N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 82768915
N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627512
N-[(4-tert-butylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80626646
N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80627639
N-[thiolan-2-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 80626433
N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80626640
N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80621805

Frequently Asked Questions

What is the IUPAC name of N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine (CID 80627227) is N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine is CCCNC(c1cccc2ccccc12)C1CCCS1.
What is the InChIKey of N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine?
The InChIKey is NWWFFTBUURYKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-2-12-19-18(17-11-6-13-20-17)16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,17-19H,2,6,11-13H2,1H3.
What are the key properties of N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine?
N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 80627227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).