[(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol

C11H24N2O3S — CID 72930233

IUPAC[(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol
SMILESCCCS(=O)(=O)N1C[C@@H](CN(C)C)[C@@H](CO)C1
InChIInChI=1S/C11H24N2O3S/c1-4-5-17(15,16)13-7-10(6-12(2)3)11(8-13)9-14/h10-11,14H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeySKFKFGFXQKMEOI-GHMZBOCLSA-N
MW264.39 g/mol
LogP-0.17
Rot. Bonds6

About [(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol

[(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol (PubChem CID 72930233) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is [(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol
PubChem CID72930233
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name[(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol
SMILESCCCS(=O)(=O)N1C[C@@H](CN(C)C)[C@@H](CO)C1
InChIInChI=1S/C11H24N2O3S/c1-4-5-17(15,16)13-7-10(6-12(2)3)11(8-13)9-14/h10-11,14H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeySKFKFGFXQKMEOI-GHMZBOCLSA-N
XLogP-0.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol (CID 72930233) is [(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol is CCCS(=O)(=O)N1C[C@@H](CN(C)C)[C@@H](CO)C1.
What is the InChIKey of [(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol?
The InChIKey is SKFKFGFXQKMEOI-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-5-17(15,16)13-7-10(6-12(2)3)11(8-13)9-14/h10-11,14H,4-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of [(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol?
[(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol has a molecular weight of 264.39 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[(dimethylamino)methyl]-1-propylsulfonylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 72930233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).