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

C27H30N2O2S — CID 3233970

IUPAC(5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1
InChIInChI=1S/C27H30N2O2S/c30-32(31,25-15-8-3-9-16-25)29-19-10-17-27(22-29)18-20-28(21-27)26(23-11-4-1-5-12-23)24-13-6-2-7-14-24/h1-9,11-16,26H,10,17-22H2/t27-/m0/s1
InChIKeyCPSNMFMVXIPDSW-MHZLTWQESA-N
MW446.62 g/mol
LogP4.95
Rot. Bonds5

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

(5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane (PubChem CID 3233970) has the molecular formula C27H30N2O2S and a molecular weight of 446.62 g/mol. Its IUPAC name is (5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane
PubChem CID3233970
Molecular FormulaC27H30N2O2S
Molecular Weight446.62 g/mol
Exact Mass446.20
IUPAC Name(5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1
InChIInChI=1S/C27H30N2O2S/c30-32(31,25-15-8-3-9-16-25)29-19-10-17-27(22-29)18-20-28(21-27)26(23-11-4-1-5-12-23)24-13-6-2-7-14-24/h1-9,11-16,26H,10,17-22H2/t27-/m0/s1
InChIKeyCPSNMFMVXIPDSW-MHZLTWQESA-N
XLogP4.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886136
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
1-(1-Benzyl-4-piperidinyl)-4-(phenylsulfonyl)piperazine
CID 1131737
N-benzyl-4-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]benzenesulfonamide
CID 44523667
N-methyl-N-[2-phenyl-4-(4-phenyl-1-piperidyl)butyl]benzenesulfonamide
CID 478308
N-[3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropyl]benzenesulfonamide
CID 44233187
N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 51031036
N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
CID 59826001
1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine
CID 16317268
1-((3S,4S)-1-Benzenesulfonyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-phenyl-piperidine
CID 473305
9-(Benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane
CID 3232729
7-(Benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[3.5]nonane
CID 3232889

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane (CID 3233970) is (5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane is O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1.
What is the InChIKey of (5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane?
The InChIKey is CPSNMFMVXIPDSW-MHZLTWQESA-N. The full InChI is InChI=1S/C27H30N2O2S/c30-32(31,25-15-8-3-9-16-25)29-19-10-17-27(22-29)18-20-28(21-27)26(23-11-4-1-5-12-23)24-13-6-2-7-14-24/h1-9,11-16,26H,10,17-22H2/t27-/m0/s1.
What are the key properties of (5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane?
(5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane has a molecular weight of 446.62 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(benzenesulfonyl)-2-benzhydryl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 3233970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).