[(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C12H16N2O5S2 — CID 125173093

IUPAC[(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@@H]1CCN(C(=O)c2scc3c2OCCO3)C1
InChIInChI=1S/C12H16N2O5S2/c13-21(16,17)7-8-1-2-14(5-8)12(15)11-10-9(6-20-11)18-3-4-19-10/h6,8H,1-5,7H2,(H2,13,16,17)/t8-/m1/s1
InChIKeyXZLKRONMKBUTSF-MRVPVSSYSA-N
MW332.40 g/mol
LogP0.27
Rot. Bonds3

About [(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide

[(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 125173093) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is [(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID125173093
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Name[(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@@H]1CCN(C(=O)c2scc3c2OCCO3)C1
InChIInChI=1S/C12H16N2O5S2/c13-21(16,17)7-8-1-2-14(5-8)12(15)11-10-9(6-20-11)18-3-4-19-10/h6,8H,1-5,7H2,(H2,13,16,17)/t8-/m1/s1
InChIKeyXZLKRONMKBUTSF-MRVPVSSYSA-N
XLogP0.27
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide with MolForge

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Related Compounds

[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568
(9aS)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95131200
[(3S)-1-(2-chloro-4,5-difluorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 125173276
2,3-dihydro-1,4-benzodioxin-5-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746515
[1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119059682
[(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125154744
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 709948
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 709945
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134703787
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 56883935
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70730800
[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 118779062

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 125173093) is [(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)C[C@@H]1CCN(C(=O)c2scc3c2OCCO3)C1.
What is the InChIKey of [(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is XZLKRONMKBUTSF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c13-21(16,17)7-8-1-2-14(5-8)12(15)11-10-9(6-20-11)18-3-4-19-10/h6,8H,1-5,7H2,(H2,13,16,17)/t8-/m1/s1.
What are the key properties of [(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
[(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 332.40 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 125173093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).