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

C13H20N2O2S — CID 163914034

IUPACN-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide
SMILESCC1(C2C=CC=C(NS(C)(=O)=O)C2)C2CNCC21
InChIInChI=1S/C13H20N2O2S/c1-13(11-7-14-8-12(11)13)9-4-3-5-10(6-9)15-18(2,16)17/h3-5,9,11-12,14-15H,6-8H2,1-2H3
InChIKeyQUQVXOLTWIWOKB-UHFFFAOYSA-N
MW268.38 g/mol
LogP0.85
Rot. Bonds3

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

N-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide (PubChem CID 163914034) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide
PubChem CID163914034
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide
SMILESCC1(C2C=CC=C(NS(C)(=O)=O)C2)C2CNCC21
InChIInChI=1S/C13H20N2O2S/c1-13(11-7-14-8-12(11)13)9-4-3-5-10(6-9)15-18(2,16)17/h3-5,9,11-12,14-15H,6-8H2,1-2H3
InChIKeyQUQVXOLTWIWOKB-UHFFFAOYSA-N
XLogP0.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide with MolForge

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Related Compounds

cis-(1S,2R)-2-cyclohexa-2,4-dien-1-yl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopropan-1-amine
CID 70810901
N-[6-[3-[(4Z)-4-ethenylhepta-4,6-dienyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]cyclohepta-1,4,6-trien-1-yl]methanesulfonamide
CID 142003910
N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide
CID 143792094
7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine]
CID 146963515
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
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-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide?
The IUPAC name of N-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide (CID 163914034) is N-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide?
The canonical SMILES for N-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide is CC1(C2C=CC=C(NS(C)(=O)=O)C2)C2CNCC21.
What is the InChIKey of N-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide?
The InChIKey is QUQVXOLTWIWOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(11-7-14-8-12(11)13)9-4-3-5-10(6-9)15-18(2,16)17/h3-5,9,11-12,14-15H,6-8H2,1-2H3.
What are the key properties of N-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide?
N-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide is sourced from PubChem (CID 163914034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).