5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide

C17H26N2O3S — CID 166282046

IUPAC5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide
SMILESCC1(C)CC(S(=O)(=O)NC[C@H]2CCCN2c2ccccc2)CO1
InChIInChI=1S/C17H26N2O3S/c1-17(2)11-16(13-22-17)23(20,21)18-12-15-9-6-10-19(15)14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,6,9-13H2,1-2H3/t15-,16?/m1/s1
InChIKeyOSSFADXRMOTKQX-AAFJCEBUSA-N
MW338.47 g/mol
LogP2.14
Rot. Bonds5

About 5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide

5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide (PubChem CID 166282046) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide
PubChem CID166282046
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide
SMILESCC1(C)CC(S(=O)(=O)NC[C@H]2CCCN2c2ccccc2)CO1
InChIInChI=1S/C17H26N2O3S/c1-17(2)11-16(13-22-17)23(20,21)18-12-15-9-6-10-19(15)14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,6,9-13H2,1-2H3/t15-,16?/m1/s1
InChIKeyOSSFADXRMOTKQX-AAFJCEBUSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide?
The IUPAC name of 5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide (CID 166282046) is 5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide.
What is the SMILES notation for 5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide?
The canonical SMILES for 5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide is CC1(C)CC(S(=O)(=O)NC[C@H]2CCCN2c2ccccc2)CO1.
What is the InChIKey of 5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide?
The InChIKey is OSSFADXRMOTKQX-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2)11-16(13-22-17)23(20,21)18-12-15-9-6-10-19(15)14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,6,9-13H2,1-2H3/t15-,16?/m1/s1.
What are the key properties of 5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide?
5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]oxolane-3-sulfonamide is sourced from PubChem (CID 166282046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).