N,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C22H42N4O2S — CID 167885377

IUPACN,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(CCS(=O)(=O)CCN(C)C1CC2CCC(C1)N2C)C1CC2CCC(C1)N2C
InChIInChI=1S/C22H42N4O2S/c1-23(21-13-17-5-6-18(14-21)25(17)3)9-11-29(27,28)12-10-24(2)22-15-19-7-8-20(16-22)26(19)4/h17-22H,5-16H2,1-4H3
InChIKeyUHJPHSADLWVLKD-UHFFFAOYSA-N
MW426.67 g/mol
LogP1.52
Rot. Bonds8

About N,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine

N,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 167885377) has the molecular formula C22H42N4O2S and a molecular weight of 426.67 g/mol. Its IUPAC name is N,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID167885377
Molecular FormulaC22H42N4O2S
Molecular Weight426.67 g/mol
Exact Mass426.30
IUPAC NameN,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(CCS(=O)(=O)CCN(C)C1CC2CCC(C1)N2C)C1CC2CCC(C1)N2C
InChIInChI=1S/C22H42N4O2S/c1-23(21-13-17-5-6-18(14-21)25(17)3)9-11-29(27,28)12-10-24(2)22-15-19-7-8-20(16-22)26(19)4/h17-22H,5-16H2,1-4H3
InChIKeyUHJPHSADLWVLKD-UHFFFAOYSA-N
XLogP1.52
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.67
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 167885377) is N,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine is CN(CCS(=O)(=O)CCN(C)C1CC2CCC(C1)N2C)C1CC2CCC(C1)N2C.
What is the InChIKey of N,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is UHJPHSADLWVLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O2S/c1-23(21-13-17-5-6-18(14-21)25(17)3)9-11-29(27,28)12-10-24(2)22-15-19-7-8-20(16-22)26(19)4/h17-22H,5-16H2,1-4H3.
What are the key properties of N,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
N,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 426.67 g/mol, XLogP of 1.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-N-[2-[2-[methyl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethylsulfonyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 167885377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).