N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline

C15H23N3O2S — CID 79165858

IUPACN-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
SMILESCNc1ccccc1S(=O)(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C15H23N3O2S/c1-16-14-5-3-4-6-15(14)21(19,20)18-10-9-12-7-8-13(11-18)17(12)2/h3-6,12-13,16H,7-11H2,1-2H3
InChIKeyNJHNXDFZDAOYJC-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.59
Rot. Bonds3

About N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline

N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline (PubChem CID 79165858) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline.

Molecular Properties

Compound NameN-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
PubChem CID79165858
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC NameN-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
SMILESCNc1ccccc1S(=O)(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C15H23N3O2S/c1-16-14-5-3-4-6-15(14)21(19,20)18-10-9-12-7-8-13(11-18)17(12)2/h3-6,12-13,16H,7-11H2,1-2H3
InChIKeyNJHNXDFZDAOYJC-UHFFFAOYSA-N
XLogP1.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline
CID 62148456
2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline
CID 62143268
[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine
CID 79165396
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79175051
4-bromo-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79166020
3-bromo-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79166014
3-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79166006
N-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylaniline
CID 102745577
2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 63162352
[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine
CID 79165397
[5-bromo-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-2-yl]methanamine
CID 79166086
N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine
CID 79166239

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline?
The IUPAC name of N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline (CID 79165858) is N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline.
What is the SMILES notation for N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline?
The canonical SMILES for N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline is CNc1ccccc1S(=O)(=O)N1CCC2CCC(C1)N2C.
What is the InChIKey of N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline?
The InChIKey is NJHNXDFZDAOYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-16-14-5-3-4-6-15(14)21(19,20)18-10-9-12-7-8-13(11-18)17(12)2/h3-6,12-13,16H,7-11H2,1-2H3.
What are the key properties of N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline?
N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline has a molecular weight of 309.43 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline is sourced from PubChem (CID 79165858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).