N-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide

C11H20N4O4S — CID 154800742

IUPACN-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCn1cc(O[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2O)cn1
InChIInChI=1S/C11H20N4O4S/c1-14-6-9(5-12-14)19-11-8-15(7-10(11)16)4-3-13-20(2,17)18/h5-6,10-11,13,16H,3-4,7-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyJWRWAFMOSXLWCF-GHMZBOCLSA-N
MW304.37 g/mol
LogP-1.61
Rot. Bonds6

About N-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide

N-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide (PubChem CID 154800742) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide
PubChem CID154800742
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC NameN-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCn1cc(O[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2O)cn1
InChIInChI=1S/C11H20N4O4S/c1-14-6-9(5-12-14)19-11-8-15(7-10(11)16)4-3-13-20(2,17)18/h5-6,10-11,13,16H,3-4,7-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyJWRWAFMOSXLWCF-GHMZBOCLSA-N
XLogP-1.61
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide (CID 154800742) is N-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide is Cn1cc(O[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2O)cn1.
What is the InChIKey of N-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is JWRWAFMOSXLWCF-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-14-6-9(5-12-14)19-11-8-15(7-10(11)16)4-3-13-20(2,17)18/h5-6,10-11,13,16H,3-4,7-8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of N-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide?
N-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 304.37 g/mol, XLogP of -1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,4R)-3-hydroxy-4-(1-methylpyrazol-4-yl)oxypyrrolidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 154800742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).