N,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

C17H27N3O2S2 — CID 156606905

IUPACN,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCSc1ccccc1CN1CC2CCC1CN(S(=O)(=O)N(C)C)C2
InChIInChI=1S/C17H27N3O2S2/c1-18(2)24(21,22)20-11-14-8-9-16(13-20)19(10-14)12-15-6-4-5-7-17(15)23-3/h4-7,14,16H,8-13H2,1-3H3
InChIKeyIIKZZCMFBNHPHX-UHFFFAOYSA-N
MW369.56 g/mol
LogP2.11
Rot. Bonds5

About N,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

N,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (PubChem CID 156606905) has the molecular formula C17H27N3O2S2 and a molecular weight of 369.56 g/mol. Its IUPAC name is N,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
PubChem CID156606905
Molecular FormulaC17H27N3O2S2
Molecular Weight369.56 g/mol
Exact Mass369.15
IUPAC NameN,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCSc1ccccc1CN1CC2CCC1CN(S(=O)(=O)N(C)C)C2
InChIInChI=1S/C17H27N3O2S2/c1-18(2)24(21,22)20-11-14-8-9-16(13-20)19(10-14)12-15-6-4-5-7-17(15)23-3/h4-7,14,16H,8-13H2,1-3H3
InChIKeyIIKZZCMFBNHPHX-UHFFFAOYSA-N
XLogP2.11
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.56
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide with MolForge

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Related Compounds

Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate
CID 3038767
1-{1-[4-(Methylsulfanyl)benzyl]piperidin-4-yl}azepane
CID 754246
(1R,5S)-6-methyl-3-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 77086711
rac-(1R,5S)-3-benzyl-6-[(4-methyl-2-thienyl)sulfonyl]-3,6-diazabicyclo[3.2.2]nonane
CID 131907784
1-(10,11-Dihydrodibenzo[b,f]thiepin-10-yl)hexahydro-4-methyl-1H-1,4-diazepine
CID 199733
1-(5-Fluoro-2-methylphenyl)sulfonyl-4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,4-diazepane
CID 24736505
1-(4-Fluorophenyl)sulfonyl-4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,4-diazepane
CID 24736512
1-[(4-Fluorophenyl)methyl]-4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,4-diazepane
CID 24736529
(1S*,5R*)-3-(4-fluorobenzyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-6-sulfonamide
CID 72902100
(1S*,5R*)-3-(4-fluorobenzyl)-6-(isopropylsulfonyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72933098
N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 24732432
N-[2-(dimethylamino)ethyl]-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 24732440

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (CID 156606905) is N,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is CSc1ccccc1CN1CC2CCC1CN(S(=O)(=O)N(C)C)C2.
What is the InChIKey of N,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The InChIKey is IIKZZCMFBNHPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S2/c1-18(2)24(21,22)20-11-14-8-9-16(13-20)19(10-14)12-15-6-4-5-7-17(15)23-3/h4-7,14,16H,8-13H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
N,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide has a molecular weight of 369.56 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(2-methylsulfanylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is sourced from PubChem (CID 156606905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).