3-morpholin-4-ylnaphthalene-2-thiol

C14H15NOS — CID 91552952

IUPAC3-morpholin-4-ylnaphthalene-2-thiol
SMILESSc1cc2ccccc2cc1N1CCOCC1
InChIInChI=1S/C14H15NOS/c17-14-10-12-4-2-1-3-11(12)9-13(14)15-5-7-16-8-6-15/h1-4,9-10,17H,5-8H2
InChIKeyGQXPFZFGZFERNK-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.97
Rot. Bonds1

About 3-morpholin-4-ylnaphthalene-2-thiol

3-morpholin-4-ylnaphthalene-2-thiol (PubChem CID 91552952) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-morpholin-4-ylnaphthalene-2-thiol.

Molecular Properties

Compound Name3-morpholin-4-ylnaphthalene-2-thiol
PubChem CID91552952
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name3-morpholin-4-ylnaphthalene-2-thiol
SMILESSc1cc2ccccc2cc1N1CCOCC1
InChIInChI=1S/C14H15NOS/c17-14-10-12-4-2-1-3-11(12)9-13(14)15-5-7-16-8-6-15/h1-4,9-10,17H,5-8H2
InChIKeyGQXPFZFGZFERNK-UHFFFAOYSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

anthracene;4-sulfanylmorpholine
CID 157389683
3-morpholin-4-ylquinolin-2-amine
CID 67346064
4-morpholin-4-ylbenzo[g]chromen-2-one
CID 11346540
10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
CID 101167141
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine
CID 126145909
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
CID 110862406
4-(2-phenoxyphenyl)morpholine
CID 518097
2-morpholin-4-ylbenzonitrile
CID 2737012
1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol
CID 159654174
8-amino-3-morpholin-4-yl-1H-quinolin-2-one
CID 68704014
3-morpholin-4-yl-6-phenylquinolin-2-amine
CID 173067500
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylnaphthalene-2-thiol?
The IUPAC name of 3-morpholin-4-ylnaphthalene-2-thiol (CID 91552952) is 3-morpholin-4-ylnaphthalene-2-thiol.
What is the SMILES notation for 3-morpholin-4-ylnaphthalene-2-thiol?
The canonical SMILES for 3-morpholin-4-ylnaphthalene-2-thiol is Sc1cc2ccccc2cc1N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylnaphthalene-2-thiol?
The InChIKey is GQXPFZFGZFERNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c17-14-10-12-4-2-1-3-11(12)9-13(14)15-5-7-16-8-6-15/h1-4,9-10,17H,5-8H2.
What are the key properties of 3-morpholin-4-ylnaphthalene-2-thiol?
3-morpholin-4-ylnaphthalene-2-thiol has a molecular weight of 245.35 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylnaphthalene-2-thiol is sourced from PubChem (CID 91552952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).