4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide

C15H27F2N5O3S — CID 68810592

IUPAC4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN([C@@H]2CN[C@H](C(=O)N3CCC(F)(F)C3)C2)CC1
InChIInChI=1S/C15H27F2N5O3S/c1-19(2)26(24,25)22-7-5-20(6-8-22)12-9-13(18-10-12)14(23)21-4-3-15(16,17)11-21/h12-13,18H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyGVXYFLPDUREPNK-STQMWFEESA-N
MW395.48 g/mol
LogP-0.99
Rot. Bonds4

About 4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide

4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 68810592) has the molecular formula C15H27F2N5O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID68810592
Molecular FormulaC15H27F2N5O3S
Molecular Weight395.48 g/mol
Exact Mass395.18
IUPAC Name4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN([C@@H]2CN[C@H](C(=O)N3CCC(F)(F)C3)C2)CC1
InChIInChI=1S/C15H27F2N5O3S/c1-19(2)26(24,25)22-7-5-20(6-8-22)12-9-13(18-10-12)14(23)21-4-3-15(16,17)11-21/h12-13,18H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyGVXYFLPDUREPNK-STQMWFEESA-N
XLogP-0.99
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide (CID 68810592) is 4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN([C@@H]2CN[C@H](C(=O)N3CCC(F)(F)C3)C2)CC1.
What is the InChIKey of 4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is GVXYFLPDUREPNK-STQMWFEESA-N. The full InChI is InChI=1S/C15H27F2N5O3S/c1-19(2)26(24,25)22-7-5-20(6-8-22)12-9-13(18-10-12)14(23)21-4-3-15(16,17)11-21/h12-13,18H,3-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 395.48 g/mol, XLogP of -0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 68810592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).