1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide

C15H21NO4S — CID 2422745

IUPAC1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide
SMILESCC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCc1ccco1)C(=O)C2
InChIInChI=1S/C15H21NO4S/c1-14(2)11-5-6-15(14,13(17)8-11)10-21(18,19)16-9-12-4-3-7-20-12/h3-4,7,11,16H,5-6,8-10H2,1-2H3/t11-,15-/m1/s1
InChIKeyFTRMSHJAOCNXOK-IAQYHMDHSA-N
MW311.40 g/mol
LogP2.09
Rot. Bonds5

About 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide

1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide (PubChem CID 2422745) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide
PubChem CID2422745
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide
SMILESCC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCc1ccco1)C(=O)C2
InChIInChI=1S/C15H21NO4S/c1-14(2)11-5-6-15(14,13(17)8-11)10-21(18,19)16-9-12-4-3-7-20-12/h3-4,7,11,16H,5-6,8-10H2,1-2H3/t11-,15-/m1/s1
InChIKeyFTRMSHJAOCNXOK-IAQYHMDHSA-N
XLogP2.09
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-phenylmethanesulfonamide
CID 798773
N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanesulfonamide
CID 17741542
4-(tert-butyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 977070
1-[4-(1,1-difluoroethyl)oxan-4-yl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 138014147
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)methanesulfonamide
CID 3853551
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
CID 55362127
1-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)-N-((2,5-dimethylfuran-3-yl)methyl)methanesulfonamide
CID 71807014
N-(Furan-2-ylmethyl)cyclohexanesulfonamide
CID 86702149
1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 2422744
[4-[[(7,7-Dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 3432459
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)methanesulfonamide
CID 3890742
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 3963551

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide (CID 2422745) is 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide is CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCc1ccco1)C(=O)C2.
What is the InChIKey of 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The InChIKey is FTRMSHJAOCNXOK-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-14(2)11-5-6-15(14,13(17)8-11)10-21(18,19)16-9-12-4-3-7-20-12/h3-4,7,11,16H,5-6,8-10H2,1-2H3/t11-,15-/m1/s1.
What are the key properties of 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide?
1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 2422745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).