N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide

C15H26N4O3S — CID 100641729

IUPACN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNS(=O)(=O)CCN1CCCC1
InChIInChI=1S/C15H26N4O3S/c1-18-14(4-6-16-18)15-13(5-10-22-15)12-17-23(20,21)11-9-19-7-2-3-8-19/h4,6,13,15,17H,2-3,5,7-12H2,1H3/t13-,15+/m0/s1
InChIKeyLTGFRMSXEWBDNM-DZGCQCFKSA-N
MW342.47 g/mol
LogP0.51
Rot. Bonds7

About N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide

N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide (PubChem CID 100641729) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide
PubChem CID100641729
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNS(=O)(=O)CCN1CCCC1
InChIInChI=1S/C15H26N4O3S/c1-18-14(4-6-16-18)15-13(5-10-22-15)12-17-23(20,21)11-9-19-7-2-3-8-19/h4,6,13,15,17H,2-3,5,7-12H2,1H3/t13-,15+/m0/s1
InChIKeyLTGFRMSXEWBDNM-DZGCQCFKSA-N
XLogP0.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethenesulfonamide
CID 167933645
2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide
CID 127969351
1,2-dimethyl-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]guanidine
CID 120965775
(2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 129339482
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666
1-(azepan-1-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]butan-1-one
CID 128972283
1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 127965178
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 128976187
5-bromo-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 128992017
2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide
CID 128977860
5-methyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 167940033
1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea
CID 129475840

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide?
The IUPAC name of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide (CID 100641729) is N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide.
What is the SMILES notation for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide?
The canonical SMILES for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide is Cn1nccc1[C@@H]1OCC[C@H]1CNS(=O)(=O)CCN1CCCC1.
What is the InChIKey of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide?
The InChIKey is LTGFRMSXEWBDNM-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-18-14(4-6-16-18)15-13(5-10-22-15)12-17-23(20,21)11-9-19-7-2-3-8-19/h4,6,13,15,17H,2-3,5,7-12H2,1H3/t13-,15+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide?
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide has a molecular weight of 342.47 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide is sourced from PubChem (CID 100641729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).