N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide

C14H25NO6S — CID 161240613

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
SMILESCC(CO)(CO)NS(=O)(=O)CC12CCC(C(O)C1=O)C2(C)C
InChIInChI=1S/C14H25NO6S/c1-12(2)9-4-5-14(12,11(19)10(9)18)8-22(20,21)15-13(3,6-16)7-17/h9-10,15-18H,4-8H2,1-3H3
InChIKeyUZYHWNOCFZIJPX-UHFFFAOYSA-N
MW335.42 g/mol
LogP-0.98
Rot. Bonds6

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide (PubChem CID 161240613) has the molecular formula C14H25NO6S and a molecular weight of 335.42 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
PubChem CID161240613
Molecular FormulaC14H25NO6S
Molecular Weight335.42 g/mol
Exact Mass335.14
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
SMILESCC(CO)(CO)NS(=O)(=O)CC12CCC(C(O)C1=O)C2(C)C
InChIInChI=1S/C14H25NO6S/c1-12(2)9-4-5-14(12,11(19)10(9)18)8-22(20,21)15-13(3,6-16)7-17/h9-10,15-18H,4-8H2,1-3H3
InChIKeyUZYHWNOCFZIJPX-UHFFFAOYSA-N
XLogP-0.98
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide (CID 161240613) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide is CC(CO)(CO)NS(=O)(=O)CC12CCC(C(O)C1=O)C2(C)C.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The InChIKey is UZYHWNOCFZIJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO6S/c1-12(2)9-4-5-14(12,11(19)10(9)18)8-22(20,21)15-13(3,6-16)7-17/h9-10,15-18H,4-8H2,1-3H3.
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide has a molecular weight of 335.42 g/mol, XLogP of -0.98, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-1-(3-hydroxy-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide is sourced from PubChem (CID 161240613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).