N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide

C11H22N2O3S — CID 64864071

IUPACN-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide
SMILESCC1(C)C(NCCNS(C)(=O)=O)C2CCOC21
InChIInChI=1S/C11H22N2O3S/c1-11(2)9(8-4-7-16-10(8)11)12-5-6-13-17(3,14)15/h8-10,12-13H,4-7H2,1-3H3
InChIKeyVWAICUAYXWOZPS-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.06
Rot. Bonds5

About N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide

N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide (PubChem CID 64864071) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide
PubChem CID64864071
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide
SMILESCC1(C)C(NCCNS(C)(=O)=O)C2CCOC21
InChIInChI=1S/C11H22N2O3S/c1-11(2)9(8-4-7-16-10(8)11)12-5-6-13-17(3,14)15/h8-10,12-13H,4-7H2,1-3H3
InChIKeyVWAICUAYXWOZPS-UHFFFAOYSA-N
XLogP-0.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide
CID 64850583
N-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethyl]methanesulfonamide
CID 64853066
1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 64862752
2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 64862755
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-methylsulfonylpiperidin-4-amine
CID 64862921
N'-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)ethane-1,2-diamine
CID 64862941
N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 64862962
N-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]methanesulfonamide
CID 64863095
2-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 64863147
7,7-dimethyl-N-(2-methylsulfonylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863329
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-ethylsulfonylpiperidin-4-amine
CID 64864069
1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 64865044

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide (CID 64864071) is N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide is CC1(C)C(NCCNS(C)(=O)=O)C2CCOC21.
What is the InChIKey of N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide?
The InChIKey is VWAICUAYXWOZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2)9(8-4-7-16-10(8)11)12-5-6-13-17(3,14)15/h8-10,12-13H,4-7H2,1-3H3.
What are the key properties of N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide?
N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide has a molecular weight of 262.37 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 64864071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).