2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide

C15H26N2O3S — CID 43710204

IUPAC2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NC1CC2CC1C1CCCC21
InChIInChI=1S/C15H26N2O3S/c1-21(19,20)6-5-13(16)15(18)17-14-8-9-7-12(14)11-4-2-3-10(9)11/h9-14H,2-8,16H2,1H3,(H,17,18)
InChIKeyWGRWPMZRYKFFIV-UHFFFAOYSA-N
MW314.45 g/mol
LogP0.69
Rot. Bonds5

About 2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide

2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide (PubChem CID 43710204) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
PubChem CID43710204
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NC1CC2CC1C1CCCC21
InChIInChI=1S/C15H26N2O3S/c1-21(19,20)6-5-13(16)15(18)17-14-8-9-7-12(14)11-4-2-3-10(9)11/h9-14H,2-8,16H2,1H3,(H,17,18)
InChIKeyWGRWPMZRYKFFIV-UHFFFAOYSA-N
XLogP0.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide (CID 43710204) is 2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide is CS(=O)(=O)CCC(N)C(=O)NC1CC2CC1C1CCCC21.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide?
The InChIKey is WGRWPMZRYKFFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-21(19,20)6-5-13(16)15(18)17-14-8-9-7-12(14)11-4-2-3-10(9)11/h9-14H,2-8,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide?
2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide has a molecular weight of 314.45 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide is sourced from PubChem (CID 43710204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).