naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone

C18H19NO2S — CID 90510632

IUPACnaphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C18H19NO2S/c20-17(16-6-5-14-3-1-2-4-15(14)13-16)19-9-7-18(8-10-19)21-11-12-22-18/h1-6,13H,7-12H2
InChIKeyKTFLJBWUBCLRKX-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.54
Rot. Bonds1

About naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone

naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 90510632) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID90510632
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Namenaphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C18H19NO2S/c20-17(16-6-5-14-3-1-2-4-15(14)13-16)19-9-7-18(8-10-19)21-11-12-22-18/h1-6,13H,7-12H2
InChIKeyKTFLJBWUBCLRKX-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 56764624
2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 90510652
(5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 90510687
8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one
CID 90510684
[4-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-naphthalen-2-ylmethanone
CID 4024837
4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112907
2-(3-methoxyphenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 90510623
1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(2,3,4-trimethoxyphenyl)methanone
CID 90510678
2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid
CID 22399209
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 119035596

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (CID 90510632) is naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1ccc2ccccc2c1)N1CCC2(CC1)OCCS2.
What is the InChIKey of naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is KTFLJBWUBCLRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c20-17(16-6-5-14-3-1-2-4-15(14)13-16)19-9-7-18(8-10-19)21-11-12-22-18/h1-6,13H,7-12H2.
What are the key properties of naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 313.42 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 90510632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).