N-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide

C13H24N4O3S — CID 146119017

IUPACN-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide
SMILESCOC[C@@H]1C[C@H](n2cc(NS(C)(=O)=O)cn2)CN1C(C)C
InChIInChI=1S/C13H24N4O3S/c1-10(2)16-8-12(5-13(16)9-20-3)17-7-11(6-14-17)15-21(4,18)19/h6-7,10,12-13,15H,5,8-9H2,1-4H3/t12-,13-/m0/s1
InChIKeyJTXKVSWAGYHLHQ-STQMWFEESA-N
MW316.43 g/mol
LogP0.92
Rot. Bonds6

About N-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide

N-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide (PubChem CID 146119017) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide
PubChem CID146119017
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC NameN-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide
SMILESCOC[C@@H]1C[C@H](n2cc(NS(C)(=O)=O)cn2)CN1C(C)C
InChIInChI=1S/C13H24N4O3S/c1-10(2)16-8-12(5-13(16)9-20-3)17-7-11(6-14-17)15-21(4,18)19/h6-7,10,12-13,15H,5,8-9H2,1-4H3/t12-,13-/m0/s1
InChIKeyJTXKVSWAGYHLHQ-STQMWFEESA-N
XLogP0.92
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide (CID 146119017) is N-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide is COC[C@@H]1C[C@H](n2cc(NS(C)(=O)=O)cn2)CN1C(C)C.
What is the InChIKey of N-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide?
The InChIKey is JTXKVSWAGYHLHQ-STQMWFEESA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-10(2)16-8-12(5-13(16)9-20-3)17-7-11(6-14-17)15-21(4,18)19/h6-7,10,12-13,15H,5,8-9H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of N-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide?
N-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 146119017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).