(5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane

C22H28N2O2S — CID 3234248

IUPAC(5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1
InChIInChI=1S/C22H28N2O2S/c1-27(25,26)24-15-8-13-22(18-24)14-16-23(17-22)21(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,21H,8,13-18H2,1H3/t22-/m0/s1
InChIKeyKLXLEEUAVXZVRA-QFIPXVFZSA-N
MW384.54 g/mol
LogP3.52
Rot. Bonds4

About (5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane

(5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane (PubChem CID 3234248) has the molecular formula C22H28N2O2S and a molecular weight of 384.54 g/mol. Its IUPAC name is (5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
PubChem CID3234248
Molecular FormulaC22H28N2O2S
Molecular Weight384.54 g/mol
Exact Mass384.19
IUPAC Name(5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1
InChIInChI=1S/C22H28N2O2S/c1-27(25,26)24-15-8-13-22(18-24)14-16-23(17-22)21(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,21H,8,13-18H2,1H3/t22-/m0/s1
InChIKeyKLXLEEUAVXZVRA-QFIPXVFZSA-N
XLogP3.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane (CID 3234248) is (5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane is CS(=O)(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1.
What is the InChIKey of (5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
The InChIKey is KLXLEEUAVXZVRA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-27(25,26)24-15-8-13-22(18-24)14-16-23(17-22)21(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,21H,8,13-18H2,1H3/t22-/m0/s1.
What are the key properties of (5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
(5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane has a molecular weight of 384.54 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 3234248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).