N-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide

C15H25NO4S — CID 58108224

IUPACN-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NS(=O)(=O)CC1CC2CC(=O)C1C2(C)C
InChIInChI=1S/C15H25NO4S/c1-5-9(2)14(18)16-21(19,20)8-10-6-11-7-12(17)13(10)15(11,3)4/h9-11,13H,5-8H2,1-4H3,(H,16,18)
InChIKeyUGPAUWZSUBFQSV-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.73
Rot. Bonds5

About N-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide

N-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide (PubChem CID 58108224) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide
PubChem CID58108224
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NS(=O)(=O)CC1CC2CC(=O)C1C2(C)C
InChIInChI=1S/C15H25NO4S/c1-5-9(2)14(18)16-21(19,20)8-10-6-11-7-12(17)13(10)15(11,3)4/h9-11,13H,5-8H2,1-4H3,(H,16,18)
InChIKeyUGPAUWZSUBFQSV-UHFFFAOYSA-N
XLogP1.73
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide?
The IUPAC name of N-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide (CID 58108224) is N-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide.
What is the SMILES notation for N-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide?
The canonical SMILES for N-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide is CCC(C)C(=O)NS(=O)(=O)CC1CC2CC(=O)C1C2(C)C.
What is the InChIKey of N-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide?
The InChIKey is UGPAUWZSUBFQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-5-9(2)14(18)16-21(19,20)8-10-6-11-7-12(17)13(10)15(11,3)4/h9-11,13H,5-8H2,1-4H3,(H,16,18).
What are the key properties of N-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide?
N-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide has a molecular weight of 315.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,7-dimethyl-6-oxo-2-bicyclo[2.2.1]heptanyl)methylsulfonyl]-2-methylbutanamide is sourced from PubChem (CID 58108224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).