N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide

C17H32N2O3S — CID 4878202

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C17H32N2O3S/c1-15(2,11-19(5)6)10-18-23(21,22)12-17-8-7-13(9-14(17)20)16(17,3)4/h13,18H,7-12H2,1-6H3
InChIKeyCYWZMQMHIWAUMP-UHFFFAOYSA-N
MW344.52 g/mol
LogP1.89
Rot. Bonds7

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide (PubChem CID 4878202) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
PubChem CID4878202
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C17H32N2O3S/c1-15(2,11-19(5)6)10-18-23(21,22)12-17-8-7-13(9-14(17)20)16(17,3)4/h13,18H,7-12H2,1-6H3
InChIKeyCYWZMQMHIWAUMP-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide (CID 4878202) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The InChIKey is CYWZMQMHIWAUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-15(2,11-19(5)6)10-18-23(21,22)12-17-8-7-13(9-14(17)20)16(17,3)4/h13,18H,7-12H2,1-6H3.
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide has a molecular weight of 344.52 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide is sourced from PubChem (CID 4878202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).