2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]

C22H28N2O2S — CID 134791387

IUPAC2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]
SMILESCCN1CCCCC12Cc1ccccc1CN(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C22H28N2O2S/c1-2-23-15-9-8-14-22(23)16-19-10-6-7-11-20(19)17-24(18-22)27(25,26)21-12-4-3-5-13-21/h3-7,10-13H,2,8-9,14-18H2,1H3
InChIKeyOGZFYDYMWPVORY-UHFFFAOYSA-N
MW384.54 g/mol
LogP3.68
Rot. Bonds3

About 2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]

2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine] (PubChem CID 134791387) has the molecular formula C22H28N2O2S and a molecular weight of 384.54 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine].

Molecular Properties

Compound Name2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]
PubChem CID134791387
Molecular FormulaC22H28N2O2S
Molecular Weight384.54 g/mol
Exact Mass384.19
IUPAC Name2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]
SMILESCCN1CCCCC12Cc1ccccc1CN(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C22H28N2O2S/c1-2-23-15-9-8-14-22(23)16-19-10-6-7-11-20(19)17-24(18-22)27(25,26)21-12-4-3-5-13-21/h3-7,10-13H,2,8-9,14-18H2,1H3
InChIKeyOGZFYDYMWPVORY-UHFFFAOYSA-N
XLogP3.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-1'-methylsulfonylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]
CID 134789065
(5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane
CID 97473106
7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane
CID 118741147
1'-propylspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
CID 23361033
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane
CID 118742677
CID 134788656
CID 134788656
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
1,3-bis(benzenesulfonyl)-1,3-diazocane
CID 13382390
7-(benzenesulfonyl)-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,7-diazaspiro[4.4]nonane
CID 134074739
2-(4-bromophenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 63158077
5-[1'-[2-(4-methylphenyl)ethyl]spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]-5-oxopentanoic acid
CID 134791043

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]?
The IUPAC name of 2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine] (CID 134791387) is 2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine].
What is the SMILES notation for 2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]?
The canonical SMILES for 2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine] is CCN1CCCCC12Cc1ccccc1CN(S(=O)(=O)c1ccccc1)C2.
What is the InChIKey of 2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]?
The InChIKey is OGZFYDYMWPVORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-2-23-15-9-8-14-22(23)16-19-10-6-7-11-20(19)17-24(18-22)27(25,26)21-12-4-3-5-13-21/h3-7,10-13H,2,8-9,14-18H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]?
2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine] has a molecular weight of 384.54 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine] is sourced from PubChem (CID 134791387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).