4-(naphthalen-1-ylmethyl)thiomorpholine

C15H17NS — CID 791354

IUPAC4-(naphthalen-1-ylmethyl)thiomorpholine
SMILESc1ccc2c(CN3CCSCC3)cccc2c1
InChIInChI=1S/C15H17NS/c1-2-7-15-13(4-1)5-3-6-14(15)12-16-8-10-17-11-9-16/h1-7H,8-12H2
InChIKeyXXDYICWCXNQCSJ-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.39
Rot. Bonds2

About 4-(naphthalen-1-ylmethyl)thiomorpholine

4-(naphthalen-1-ylmethyl)thiomorpholine (PubChem CID 791354) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethyl)thiomorpholine
PubChem CID791354
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name4-(naphthalen-1-ylmethyl)thiomorpholine
SMILESc1ccc2c(CN3CCSCC3)cccc2c1
InChIInChI=1S/C15H17NS/c1-2-7-15-13(4-1)5-3-6-14(15)12-16-8-10-17-11-9-16/h1-7H,8-12H2
InChIKeyXXDYICWCXNQCSJ-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-(naphthalen-1-ylmethyl)-1,5-diazocane
CID 62369644
4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine
CID 156772756
2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetonitrile
CID 34902193
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382
1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine
CID 3431056
2-(thiomorpholin-4-ylmethyl)benzaldehyde
CID 91657440
1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 7026318
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
3-bromo-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 80675511
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethyl)thiomorpholine?
The IUPAC name of 4-(naphthalen-1-ylmethyl)thiomorpholine (CID 791354) is 4-(naphthalen-1-ylmethyl)thiomorpholine.
What is the SMILES notation for 4-(naphthalen-1-ylmethyl)thiomorpholine?
The canonical SMILES for 4-(naphthalen-1-ylmethyl)thiomorpholine is c1ccc2c(CN3CCSCC3)cccc2c1.
What is the InChIKey of 4-(naphthalen-1-ylmethyl)thiomorpholine?
The InChIKey is XXDYICWCXNQCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-2-7-15-13(4-1)5-3-6-14(15)12-16-8-10-17-11-9-16/h1-7H,8-12H2.
What are the key properties of 4-(naphthalen-1-ylmethyl)thiomorpholine?
4-(naphthalen-1-ylmethyl)thiomorpholine has a molecular weight of 243.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethyl)thiomorpholine is sourced from PubChem (CID 791354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).