(6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one

C15H19NOS — CID 102483752

IUPAC(6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one
SMILESO=C1N2CCCC[C@]1(Sc1ccccc1)CCC2
InChIInChI=1S/C15H19NOS/c17-14-15(18-13-7-2-1-3-8-13)9-4-5-11-16(14)12-6-10-15/h1-3,7-8H,4-6,9-12H2/t15-/m0/s1
InChIKeyBHQWJHQCQKBHNO-HNNXBMFYSA-N
MW261.39 g/mol
LogP3.32
Rot. Bonds2

About (6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one

(6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one (PubChem CID 102483752) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is (6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one.

Molecular Properties

Compound Name(6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one
PubChem CID102483752
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name(6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one
SMILESO=C1N2CCCC[C@]1(Sc1ccccc1)CCC2
InChIInChI=1S/C15H19NOS/c17-14-15(18-13-7-2-1-3-8-13)9-4-5-11-16(14)12-6-10-15/h1-3,7-8H,4-6,9-12H2/t15-/m0/s1
InChIKeyBHQWJHQCQKBHNO-HNNXBMFYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one?
The IUPAC name of (6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one (CID 102483752) is (6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one.
What is the SMILES notation for (6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one?
The canonical SMILES for (6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one is O=C1N2CCCC[C@]1(Sc1ccccc1)CCC2.
What is the InChIKey of (6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one?
The InChIKey is BHQWJHQCQKBHNO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NOS/c17-14-15(18-13-7-2-1-3-8-13)9-4-5-11-16(14)12-6-10-15/h1-3,7-8H,4-6,9-12H2/t15-/m0/s1.
What are the key properties of (6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one?
(6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one has a molecular weight of 261.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-phenylsulfanyl-1-azabicyclo[4.3.1]decan-10-one is sourced from PubChem (CID 102483752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).