2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine

C18H25NOS — CID 79907813

IUPAC2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESNC1(C2CCOC3(CCSC3)C2)CCc2ccccc2C1
InChIInChI=1S/C18H25NOS/c19-18(7-5-14-3-1-2-4-15(14)11-18)16-6-9-20-17(12-16)8-10-21-13-17/h1-4,16H,5-13,19H2
InChIKeyBCPFAULWDYRATL-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.18
Rot. Bonds1

About 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine

2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 79907813) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID79907813
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESNC1(C2CCOC3(CCSC3)C2)CCc2ccccc2C1
InChIInChI=1S/C18H25NOS/c19-18(7-5-14-3-1-2-4-15(14)11-18)16-6-9-20-17(12-16)8-10-21-13-17/h1-4,16H,5-13,19H2
InChIKeyBCPFAULWDYRATL-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79908074
2-(5-oxaspiro[3.5]nonan-8-yl)-1,3-dihydroinden-2-amine
CID 79912864
3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol
CID 107089693
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine
CID 79912985
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine
CID 79912993
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79908105
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine
CID 79898768
2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine
CID 115918129
1-(4-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79912974
4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide
CID 79900572
1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79901777

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine (CID 79907813) is 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine is NC1(C2CCOC3(CCSC3)C2)CCc2ccccc2C1.
What is the InChIKey of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is BCPFAULWDYRATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c19-18(7-5-14-3-1-2-4-15(14)11-18)16-6-9-20-17(12-16)8-10-21-13-17/h1-4,16H,5-13,19H2.
What are the key properties of 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine?
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 303.47 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 79907813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).