[2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine

C15H20ClNOS — CID 66155248

IUPAC[2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine
SMILESNCC1(Sc2ccccc2Cl)CC2(CCOCC2)C1
InChIInChI=1S/C15H20ClNOS/c16-12-3-1-2-4-13(12)19-15(11-17)9-14(10-15)5-7-18-8-6-14/h1-4H,5-11,17H2
InChIKeyKTWSKXGATZGKDF-UHFFFAOYSA-N
MW297.85 g/mol
LogP3.72
Rot. Bonds3

About [2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine

[2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine (PubChem CID 66155248) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is [2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine
PubChem CID66155248
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name[2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine
SMILESNCC1(Sc2ccccc2Cl)CC2(CCOCC2)C1
InChIInChI=1S/C15H20ClNOS/c16-12-3-1-2-4-13(12)19-15(11-17)9-14(10-15)5-7-18-8-6-14/h1-4H,5-11,17H2
InChIKeyKTWSKXGATZGKDF-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine?
The IUPAC name of [2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine (CID 66155248) is [2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine.
What is the SMILES notation for [2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine?
The canonical SMILES for [2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine is NCC1(Sc2ccccc2Cl)CC2(CCOCC2)C1.
What is the InChIKey of [2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine?
The InChIKey is KTWSKXGATZGKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c16-12-3-1-2-4-13(12)19-15(11-17)9-14(10-15)5-7-18-8-6-14/h1-4H,5-11,17H2.
What are the key properties of [2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine?
[2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine has a molecular weight of 297.85 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)sulfanyl-7-oxaspiro[3.5]nonan-2-yl]methanamine is sourced from PubChem (CID 66155248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).