(3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide

C6H14N2O4S — CID 130933962

IUPAC(3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1C[C@@H](O)[C@H](OC)C1
InChIInChI=1S/C6H14N2O4S/c1-7-13(10,11)8-3-5(9)6(4-8)12-2/h5-7,9H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyWFLKEIUVBZSJTL-PHDIDXHHSA-N
MW210.25 g/mol
LogP-1.86
Rot. Bonds3

About (3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide

(3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide (PubChem CID 130933962) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is (3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide
PubChem CID130933962
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name(3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1C[C@@H](O)[C@H](OC)C1
InChIInChI=1S/C6H14N2O4S/c1-7-13(10,11)8-3-5(9)6(4-8)12-2/h5-7,9H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyWFLKEIUVBZSJTL-PHDIDXHHSA-N
XLogP-1.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]sulfonylacetonitrile
CID 131142457
4-(2-methoxyethyl)-N,3,5-trimethylpiperazine-1-sulfonamide
CID 110629141
N,2,6-trimethylmorpholine-4-sulfonamide
CID 43242358
2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine
CID 103541594
ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone
CID 143657767
methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate
CID 104978218
1-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 114806601
2-[(3S,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid
CID 129499607
ethane;1-ethyl-4-methoxypyrrolidin-3-ol
CID 176573528
(2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one
CID 129321535
N-methylazepane-1-sulfonamide
CID 28784575
N-methylazocane-1-sulfonamide
CID 130686123

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of (3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide (CID 130933962) is (3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide is CNS(=O)(=O)N1C[C@@H](O)[C@H](OC)C1.
What is the InChIKey of (3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is WFLKEIUVBZSJTL-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-7-13(10,11)8-3-5(9)6(4-8)12-2/h5-7,9H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide?
(3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 210.25 g/mol, XLogP of -1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-hydroxy-4-methoxy-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 130933962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).