11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide

C19H29N3O2S — CID 155962702

IUPAC11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC23CCCCC2(CN(Cc2ccccc2)C3)C1
InChIInChI=1S/C19H29N3O2S/c1-20(2)25(23,24)22-15-18-10-6-7-11-19(18,16-22)14-21(13-18)12-17-8-4-3-5-9-17/h3-5,8-9H,6-7,10-16H2,1-2H3
InChIKeyBWTBERWQWDRXFV-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.17
Rot. Bonds4

About 11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide

11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide (PubChem CID 155962702) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide.

Molecular Properties

Compound Name11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide
PubChem CID155962702
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC23CCCCC2(CN(Cc2ccccc2)C3)C1
InChIInChI=1S/C19H29N3O2S/c1-20(2)25(23,24)22-15-18-10-6-7-11-19(18,16-22)14-21(13-18)12-17-8-4-3-5-9-17/h3-5,8-9H,6-7,10-16H2,1-2H3
InChIKeyBWTBERWQWDRXFV-UHFFFAOYSA-N
XLogP2.17
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide with MolForge

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Related Compounds

15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane
CID 12860336
2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid
CID 155965630
4-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 98410970
4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781987
4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 20930287
(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3233118
6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile
CID 167848964
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
4-[(3-benzyl-1,3-diazinan-1-yl)sulfonyl]-N,N-dimethylbenzenesulfonamide
CID 43816589
2-benzyl-2,8-diazaspiro[4.5]decane-8-sulfonamide
CID 136518555
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264

Frequently Asked Questions

What is the IUPAC name of 11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide?
The IUPAC name of 11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide (CID 155962702) is 11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide.
What is the SMILES notation for 11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide?
The canonical SMILES for 11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide is CN(C)S(=O)(=O)N1CC23CCCCC2(CN(Cc2ccccc2)C3)C1.
What is the InChIKey of 11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide?
The InChIKey is BWTBERWQWDRXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-20(2)25(23,24)22-15-18-10-6-7-11-19(18,16-22)14-21(13-18)12-17-8-4-3-5-9-17/h3-5,8-9H,6-7,10-16H2,1-2H3.
What are the key properties of 11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide?
11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide has a molecular weight of 363.53 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide is sourced from PubChem (CID 155962702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).