3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide

C8H18N2O4S — CID 106672575

IUPAC3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CC(O)C(O)C1
InChIInChI=1S/C8H18N2O4S/c1-6(2)9(3)15(13,14)10-4-7(11)8(12)5-10/h6-8,11-12H,4-5H2,1-3H3
InChIKeyZUMBEFZMHYZQLV-UHFFFAOYSA-N
MW238.31 g/mol
LogP-1.39
Rot. Bonds3

About 3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide

3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide (PubChem CID 106672575) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
PubChem CID106672575
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CC(O)C(O)C1
InChIInChI=1S/C8H18N2O4S/c1-6(2)9(3)15(13,14)10-4-7(11)8(12)5-10/h6-8,11-12H,4-5H2,1-3H3
InChIKeyZUMBEFZMHYZQLV-UHFFFAOYSA-N
XLogP-1.39
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide
CID 130645144
3-hydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 62917299
(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 94340197
(3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 104976646
(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120767038
3-(bromomethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 80674172
4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 62075219
N,N-dimethyl-3-propan-2-ylazetidine-1-sulfonamide
CID 71124408
2-(chloromethyl)-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 81212094
N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 63878251
N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide
CID 138636589
3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid
CID 61455914

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The IUPAC name of 3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide (CID 106672575) is 3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1CC(O)C(O)C1.
What is the InChIKey of 3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The InChIKey is ZUMBEFZMHYZQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-6(2)9(3)15(13,14)10-4-7(11)8(12)5-10/h6-8,11-12H,4-5H2,1-3H3.
What are the key properties of 3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide has a molecular weight of 238.31 g/mol, XLogP of -1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 106672575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).