N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide

C9H16N4O3S — CID 43598376

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C9H16N4O3S/c1-12-6-7(3-11-12)17(15,16)13(2)8-4-10-5-9(8)14/h3,6,8-10,14H,4-5H2,1-2H3/t8-,9-/m1/s1
InChIKeyAHMIGYSMLXLFSS-RKDXNWHRSA-N
MW260.32 g/mol
LogP-1.63
Rot. Bonds3

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 43598376) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID43598376
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C9H16N4O3S/c1-12-6-7(3-11-12)17(15,16)13(2)8-4-10-5-9(8)14/h3,6,8-10,14H,4-5H2,1-2H3/t8-,9-/m1/s1
InChIKeyAHMIGYSMLXLFSS-RKDXNWHRSA-N
XLogP-1.63
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide (CID 43598376) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide is CN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is AHMIGYSMLXLFSS-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-12-6-7(3-11-12)17(15,16)13(2)8-4-10-5-9(8)14/h3,6,8-10,14H,4-5H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 260.32 g/mol, XLogP of -1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 43598376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).