3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide

C12H23F2N3O3S — CID 110098089

IUPAC3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(O)(CN2CCC(F)(F)CC2)C1
InChIInChI=1S/C12H23F2N3O3S/c1-15(2)21(19,20)17-8-3-11(18,10-17)9-16-6-4-12(13,14)5-7-16/h18H,3-10H2,1-2H3
InChIKeyLAUPWDDEBNYLSW-UHFFFAOYSA-N
MW327.40 g/mol
LogP-0.04
Rot. Bonds4

About 3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide

3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 110098089) has the molecular formula C12H23F2N3O3S and a molecular weight of 327.40 g/mol. Its IUPAC name is 3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID110098089
Molecular FormulaC12H23F2N3O3S
Molecular Weight327.40 g/mol
Exact Mass327.14
IUPAC Name3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(O)(CN2CCC(F)(F)CC2)C1
InChIInChI=1S/C12H23F2N3O3S/c1-15(2)21(19,20)17-8-3-11(18,10-17)9-16-6-4-12(13,14)5-7-16/h18H,3-10H2,1-2H3
InChIKeyLAUPWDDEBNYLSW-UHFFFAOYSA-N
XLogP-0.04
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide (CID 110098089) is 3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(O)(CN2CCC(F)(F)CC2)C1.
What is the InChIKey of 3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is LAUPWDDEBNYLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N3O3S/c1-15(2)21(19,20)17-8-3-11(18,10-17)9-16-6-4-12(13,14)5-7-16/h18H,3-10H2,1-2H3.
What are the key properties of 3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide?
3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 327.40 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 110098089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).