1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide

C13H21NO3S — CID 5046783

IUPAC1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCNS(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C13H21NO3S/c1-4-7-14-18(16,17)9-13-6-5-10(8-11(13)15)12(13,2)3/h4,10,14H,1,5-9H2,2-3H3
InChIKeyLNSYCMJYJFCXAD-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.49
Rot. Bonds5

About 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide (PubChem CID 5046783) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide
PubChem CID5046783
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCNS(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C13H21NO3S/c1-4-7-14-18(16,17)9-13-6-5-10(8-11(13)15)12(13,2)3/h4,10,14H,1,5-9H2,2-3H3
InChIKeyLNSYCMJYJFCXAD-UHFFFAOYSA-N
XLogP1.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide?
The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide (CID 5046783) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide?
The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide is C=CCNS(=O)(=O)CC12CCC(CC1=O)C2(C)C.
What is the InChIKey of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide?
The InChIKey is LNSYCMJYJFCXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-7-14-18(16,17)9-13-6-5-10(8-11(13)15)12(13,2)3/h4,10,14H,1,5-9H2,2-3H3.
What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide?
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 5046783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).