N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide

C14H20N2O2S — CID 162106747

IUPACN-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide
SMILESCC1C(NS(C)(=O)=O)=CC=CC1C1(C)C2=CNCC21
InChIInChI=1S/C14H20N2O2S/c1-9-10(14(2)11-7-15-8-12(11)14)5-4-6-13(9)16-19(3,17)18/h4-7,9-10,12,15-16H,8H2,1-3H3
InChIKeyZFPMBUFKXVQAGY-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.36
Rot. Bonds3

About N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide

N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide (PubChem CID 162106747) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide
PubChem CID162106747
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide
SMILESCC1C(NS(C)(=O)=O)=CC=CC1C1(C)C2=CNCC21
InChIInChI=1S/C14H20N2O2S/c1-9-10(14(2)11-7-15-8-12(11)14)5-4-6-13(9)16-19(3,17)18/h4-7,9-10,12,15-16H,8H2,1-3H3
InChIKeyZFPMBUFKXVQAGY-UHFFFAOYSA-N
XLogP1.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide
CID 163914034
N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide
CID 164035603

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide?
The IUPAC name of N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide (CID 162106747) is N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide.
What is the SMILES notation for N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide?
The canonical SMILES for N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide is CC1C(NS(C)(=O)=O)=CC=CC1C1(C)C2=CNCC21.
What is the InChIKey of N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide?
The InChIKey is ZFPMBUFKXVQAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-10(14(2)11-7-15-8-12(11)14)5-4-6-13(9)16-19(3,17)18/h4-7,9-10,12,15-16H,8H2,1-3H3.
What are the key properties of N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide?
N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hex-1-en-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide is sourced from PubChem (CID 162106747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).