1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide

C17H29NO4S — CID 170691218

IUPAC1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide
SMILESCC1COC(C)C1CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C17H29NO4S/c1-11-9-22-12(2)14(11)8-18-23(20,21)10-17-6-5-13(7-15(17)19)16(17,3)4/h11-14,18H,5-10H2,1-4H3
InChIKeyLXOXPWFGVLQRMQ-UHFFFAOYSA-N
MW343.49 g/mol
LogP1.97
Rot. Bonds5

About 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide (PubChem CID 170691218) has the molecular formula C17H29NO4S and a molecular weight of 343.49 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide
PubChem CID170691218
Molecular FormulaC17H29NO4S
Molecular Weight343.49 g/mol
Exact Mass343.18
IUPAC Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide
SMILESCC1COC(C)C1CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C17H29NO4S/c1-11-9-22-12(2)14(11)8-18-23(20,21)10-17-6-5-13(7-15(17)19)16(17,3)4/h11-14,18H,5-10H2,1-4H3
InChIKeyLXOXPWFGVLQRMQ-UHFFFAOYSA-N
XLogP1.97
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide (CID 170691218) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide is CC1COC(C)C1CNS(=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-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide?
The InChIKey is LXOXPWFGVLQRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4S/c1-11-9-22-12(2)14(11)8-18-23(20,21)10-17-6-5-13(7-15(17)19)16(17,3)4/h11-14,18H,5-10H2,1-4H3.
What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide?
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide has a molecular weight of 343.49 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-[(2,4-dimethyloxolan-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 170691218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).