3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one

C15H15NOS — CID 101352614

IUPAC3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one
SMILESO=C1SCCCN1Cc1cccc2ccccc12
InChIInChI=1S/C15H15NOS/c17-15-16(9-4-10-18-15)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8H,4,9-11H2
InChIKeyLNOIHRVILRCUCI-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.90
Rot. Bonds2

About 3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one

3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one (PubChem CID 101352614) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one
PubChem CID101352614
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one
SMILESO=C1SCCCN1Cc1cccc2ccccc12
InChIInChI=1S/C15H15NOS/c17-15-16(9-4-10-18-15)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8H,4,9-11H2
InChIKeyLNOIHRVILRCUCI-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

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1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
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1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
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[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine
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2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one?
The IUPAC name of 3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one (CID 101352614) is 3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one.
What is the SMILES notation for 3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one?
The canonical SMILES for 3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one is O=C1SCCCN1Cc1cccc2ccccc12.
What is the InChIKey of 3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one?
The InChIKey is LNOIHRVILRCUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c17-15-16(9-4-10-18-15)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8H,4,9-11H2.
What are the key properties of 3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one?
3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one has a molecular weight of 257.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one is sourced from PubChem (CID 101352614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).