7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane

C21H26N2O3S — CID 3232725

IUPAC7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCOc1ccccc1CN1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C21H26N2O3S/c1-26-20-10-6-5-7-18(20)15-22-16-21(17-22)11-13-23(14-12-21)27(24,25)19-8-3-2-4-9-19/h2-10H,11-17H2,1H3
InChIKeyMIMVFODCGPXUGZ-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.98
Rot. Bonds5

About 7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane

7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 3232725) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID3232725
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCOc1ccccc1CN1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C21H26N2O3S/c1-26-20-10-6-5-7-18(20)15-22-16-21(17-22)11-13-23(14-12-21)27(24,25)19-8-3-2-4-9-19/h2-10H,11-17H2,1H3
InChIKeyMIMVFODCGPXUGZ-UHFFFAOYSA-N
XLogP2.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 711111
9-Benzyl-1,5-bis[(4-methoxyphenyl)sulfonyl]-3-methylene-1,5,9-triazacyclododecane
CID 11671693
1-(2,5-Dimethoxybenzyl)-4-(phenylsulfonyl)piperazine
CID 1122528
1-(3-Methoxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1131760
N-(4-Methoxy-benzyl)-4-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 654019
1-Benzyl-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 660773
N-(2,5-dimethoxybenzyl)-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzenesulfonamide
CID 665777
1-(2-Methoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122338
N-(2-Methoxy-benzyl)-3-(morpholine-4-sulfonyl)-benzenesulfonamide
CID 648711
1-(2,4-Dimethoxybenzyl)-4-(phenylsulfonyl)piperazine
CID 652055
1-Benzyl-4-(2-methoxy-5-methyl-benzenesulfonyl)-piperazine
CID 654169
1-(2,5-Dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine
CID 1106577

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane (CID 3232725) is 7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane is COc1ccccc1CN1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1.
What is the InChIKey of 7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is MIMVFODCGPXUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-26-20-10-6-5-7-18(20)15-22-16-21(17-22)11-13-23(14-12-21)27(24,25)19-8-3-2-4-9-19/h2-10H,11-17H2,1H3.
What are the key properties of 7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane?
7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 386.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 3232725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).