(3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine

C6H15N3O3S — CID 104978120

IUPAC(3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine
SMILESCNS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C6H15N3O3S/c1-7-13(11,12)9(2)5-3-8-4-6(5)10/h5-8,10H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyOLCQKUITOUQCPR-PHDIDXHHSA-N
MW209.27 g/mol
LogP-2.28
Rot. Bonds3

About (3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine

(3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine (PubChem CID 104978120) has the molecular formula C6H15N3O3S and a molecular weight of 209.27 g/mol. Its IUPAC name is (3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine
PubChem CID104978120
Molecular FormulaC6H15N3O3S
Molecular Weight209.27 g/mol
Exact Mass209.08
IUPAC Name(3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine
SMILESCNS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C6H15N3O3S/c1-7-13(11,12)9(2)5-3-8-4-6(5)10/h5-8,10H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyOLCQKUITOUQCPR-PHDIDXHHSA-N
XLogP-2.28
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-2.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(3R,4R)-1-methyl-4-(methylamino)pyrrolidin-3-ol
CID 44141717
rac-(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
rac-(3R,4R)-4-amino-1-methylpyrrolidin-3-ol
CID 58396046
rac-(3R,4R)-4-aminopyrrolidin-3-ol dihydrochloride
CID 69959688
4-Amino-1-methylpyrrolidin-3-ol
CID 10129932
(3R,4R)-4-aminopyrrolidin-3-ol
CID 10725920
4-(Dimethylamino)pyrrolidin-3-ol
CID 19969819
(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 138583396
(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 138583505
(3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide
CID 138583574
1,1,1-trifluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 43598445
1,1-difluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 43598471

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine?
The IUPAC name of (3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine (CID 104978120) is (3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine.
What is the SMILES notation for (3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine?
The canonical SMILES for (3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine is CNS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of (3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine?
The InChIKey is OLCQKUITOUQCPR-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H15N3O3S/c1-7-13(11,12)9(2)5-3-8-4-6(5)10/h5-8,10H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine?
(3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine has a molecular weight of 209.27 g/mol, XLogP of -2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-hydroxy-4-[methyl(methylsulfamoyl)amino]pyrrolidine is sourced from PubChem (CID 104978120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).